ethyl (5Z)-5-[(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methylidene]-2-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl (5Z)-5-[(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methylidene]-2-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5Z)-5-[[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methylene]-2-[(4-methylbenzoyl)amino]-4-oxo-thiophene-3-carboxylate CAS Name: (5Z)-5-[[2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]methylidene]-2-[[(4-methylphenyl)-oxomethyl]amino]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-2-[(4-methylbenzoyl)amino]-4-oxothiophene-3-carboxylate Traditional Name: (5Z)-5-[[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methylene]-4-keto-2-(p-toluoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC2=C(N(C(=C2)C)C3=CN=CC=C3)C)C1=O)NC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(S/C(=C\C2=C(N(C(=C2)C)C3=CN=CC=C3)C)/C1=O)NC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H25N3O4S/c1-5-34-27(33)23-24(31)22(35-26(23)29-25(32)19-10-8-16(2)9-11-19)14-20-13-17(3)30(18(20)4)21-7-6-12-28-15-21/h6-15H,5H2,1-4H3,(H,29,32)/b22-14-