IUPAC Name: ethyl,2-[2,,5-dimethyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-

[Synonyms]

[Structure]

[ Properties Computed from Structure]

Molecular Weight	487.61316 [g/mol]
Molecular Formula	C28H29N3O3S
XLogP	4.9
H-Bond Donor	0
H-Bond Acceptor	5
Rotatable Bond Count	6
Exact Mass	487.192963
MonoIsotopic Mass	487.192963
Topological Polar Surface Area	63.9
Heavy Atom Count	35
Formal Charge	0
Complexity	883
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	1
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: ethyl
2-[2,
5-dimethyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]pyrrol-1-
yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Canonical SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=NN(C4=O)C5=CC=CC=C5)C)C
InChI: InChI=1/C28H29N3O3S/c1-5-34-28(33)25-22-13-9-10-14-24(22)35-27(25)30-17
(2)15-20(19(30)4)16-23-18(3)29-31(26(23)32)21-11-7-6-8-12-21/h6-8,11-12,
15-16H,5,9-10,13-14H2,1-4H3