ethyl (5Z)-2-[(4-ethoxyphenyl)amino]-4-oxidanylidene-5-[(4-pyrrolidin-1-ylphenyl)methylidene]thiophene-3-carboxylate

Systemtic Name: ethyl (5Z)-2-[(4-ethoxyphenyl)amino]-4-oxidanylidene-5-[(4-pyrrolidin-1-ylphenyl)methylidene]thiophene-3-carboxylate Openeye Name: ethyl (5Z)-2-(4-ethoxyanilino)-4-oxo-5-[(4-pyrrolidin-1-ylphenyl)methylene]thiophene-3-carboxylate CAS Name: (5Z)-2-(4-ethoxyanilino)-4-oxo-5-[[4-(1-pyrrolidinyl)phenyl]methylidene]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-2-(4-ethoxyanilino)-4-oxo-5-[(4-pyrrolidin-1-ylphenyl)methylidene]thiophene-3-carboxylate Traditional Name: (5Z)-4-keto-2-(p-phenetidino)-5-(4-pyrrolidinobenzylidene)thiophene-3-carboxylic acid ethyl ester Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=CC=C(C=C3)N4CCCC4)S2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=O)/C(=C/C3=CC=C(C=C3)N4CCCC4)/S2)C(=O)OCC

InChI

InChI=1S/C26H28N2O4S/c1-3-31-21-13-9-19(10-14-21)27-25-23(26(30)32-4-2)24(29)22(33-25)17-18-7-11-20(12-8-18)28-15-5-6-16-28/h7-14,17,27H,3-6,15-16H2,1-2H3/b22-17-