ethyl 5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-2-[(4-ethoxyphenyl)amino]-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl 5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-2-[(4-ethoxyphenyl)amino]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl 5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-(4-ethoxyanilino)-4-oxo-thiophene-3-carboxylate CAS Name: 5-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylidene]-2-(4-ethoxyanilino)-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-(4-ethoxyanilino)-4-oxothiophene-3-carboxylate Traditional Name: 5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-4-keto-2-(p-phenetidino)thiophene-3-carboxylic acid ethyl ester Formula: C28H34N2O4S MolecularWeight: 494.64556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=C(N(C(=C3)C)C4CCCCC4)C)S2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=C(N(C(=C3)C)C4CCCCC4)C)S2)C(=O)OCC

InChI

InChI=1S/C28H34N2O4S/c1-5-33-23-14-12-21(13-15-23)29-27-25(28(32)34-6-2)26(31)24(35-27)17-20-16-18(3)30(19(20)4)22-10-8-7-9-11-22/h12-17,22,29H,5-11H2,1-4H3