ethyl 2-[3-[(E)-[2-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-[(E)-[2-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-[(E)-[2-(3,4-dimethylanilino)-4-oxo-thiazol-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[3-[(E)-[2-(3,4-dimethylanilino)-4-oxo-5-thiazolylidene]methyl]-2,5-dimethyl-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-[(E)-[2-(3,4-dimethylanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(E)-[2-(3,4-dimethylanilino)-4-keto-2-thiazolin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H31N3O3S2 MolecularWeight: 533.70474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=O)N=C(S4)NC5=CC(=C(C=C5)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)/C=C/4\C(=O)N=C(S4)NC5=CC(=C(C=C5)C)C)C

InChI

InChI=1S/C29H31N3O3S2/c1-6-35-28(34)25-22-9-7-8-10-23(22)36-27(25)32-18(4)14-20(19(32)5)15-24-26(33)31-29(37-24)30-21-12-11-16(2)17(3)13-21/h11-15H,6-10H2,1-5H3,(H,30,31,33)/b24-15+