ethyl 2-[[(E)-2-cyano-3-[1-(4-methylphenyl)-2,5-diphenyl-pyrrol-3-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-[1-(4-methylphenyl)-2,5-diphenyl-pyrrol-3-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-[2,5-diphenyl-1-(p-tolyl)pyrrol-3-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[1-(4-methylphenyl)-2,5-diphenyl-3-pyrrolyl]-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[2,5-diphenyl-1-(p-tolyl)pyrrol-3-yl]acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C38H33N3O3S MolecularWeight: 611.75192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=C(N(C(=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C)C6=CC=CC=C6)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=C(N(C(=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C)C6=CC=CC=C6)/C#N

InChI

InChI=1S/C38H33N3O3S/c1-3-44-38(43)34-31-16-10-11-17-33(31)45-37(34)40-36(42)29(24-39)22-28-23-32(26-12-6-4-7-13-26)41(30-20-18-25(2)19-21-30)35(28)27-14-8-5-9-15-27/h4-9,12-15,18-23H,3,10-11,16-17H2,1-2H3,(H,40,42)/b29-22+