IUPAC Name: ethyl,(2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo

[Synonyms]

[Structure]

[ Properties Computed from Structure]

Molecular Weight	499.5808 [g/mol]
Molecular Formula	C28H25N3O4S
XLogP	3.7
H-Bond Donor	0
H-Bond Acceptor	5
Rotatable Bond Count	6
Exact Mass	499.156577
MonoIsotopic Mass	499.156577
Topological Polar Surface Area	79.3
Heavy Atom Count	36
Formal Charge	0
Complexity	1070
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	1
Defined Bond StereoCenter Count	1
Undefined Bond StereoCenter Count	1
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: ethyl
(2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5-(2-phenylethenyl)
-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Canonical SMILES: CCN1C2=CC=CC=C2C(=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C=CC5=CC=CC=C5)C1=O
Isomeric SMILES: CCN1C2=CC=CC=C2/C(=C/3\C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C=CC5=CC=CC=C5)/
C1=O
InChI: InChI=1/C28H25N3O4S/c1-4-30-20-14-10-9-13-19(20)23(25(30)32)24-26(33)31-
21(16-15-18-11-7-6-8-12-18)22(27(34)35-5-2)17(3)29-28(31)36-24/h6-16,
21H,4-5H2,1-3H3/b16-15u,24-23-