IUPAC Name: ethyl,4-(3,,4-dimethylphenyl)-2-[[(E)-3-[3-methoxy-4-[(2-m

[Synonyms]

[Structure]

[ Properties Computed from Structure]

Molecular Weight	555.68382 [g/mol]
Molecular Formula	C33H33NO5S
XLogP	7.8
H-Bond Donor	1
H-Bond Acceptor	5
Rotatable Bond Count	11
Tautomer Count	4
Exact Mass	555.207944
MonoIsotopic Mass	555.207944
Topological Polar Surface Area	73.9
Heavy Atom Count	40
Formal Charge	0
Complexity	851
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	1
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: ethyl
4-(3,
4-dimethylphenyl)-2-[[(E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]
phenyl]prop-2-enoyl]amino]thiophene-3-carboxylate
Canonical SMILES: CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)C=CC3=CC(=C(C=C3)OCC4=CC=CC=
C4C)OC
Isomeric SMILES: CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)\C=C\C3=CC(=C(C=C3)OCC4=CC=CC=
C4C)OC
InChI: InChI=1/C33H33NO5S/c1-6-38-33(36)31-27(25-14-11-21(2)23(4)17-25)20-40-32
(31)34-30(35)16-13-24-12-15-28(29(18-24)37-5)39-19-26-10-8-7-9-22(26)3/
h7-18,20H,6,19H2,1-5H3,(H,34,35)/b16-13+/f/h34H