ethyl 4-(3-ethanoyl-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-1-yl)benzoate

Systemtic Name: ethyl 4-(3-ethanoyl-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-1-yl)benzoate Openeye Name: ethyl 4-[3-acetyl-4-hydroxy-5-oxo-2-(2-thienyl)-2H-pyrrol-1-yl]benzoate CAS Name: 4-(3-acetyl-4-hydroxy-5-oxo-2-thiophen-2-yl-2H-pyrrol-1-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-acetyl-4-hydroxy-5-oxo-2-thiophen-2-yl-2H-pyrrol-1-yl)benzoate Traditional Name: 4-[4-acetyl-3-hydroxy-2-keto-5-(2-thienyl)-3-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C19H17NO5S MolecularWeight: 371.40698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC=CS3

InChI

InChI=1S/C19H17NO5S/c1-3-25-19(24)12-6-8-13(9-7-12)20-16(14-5-4-10-26-14)15(11(2)21)17(22)18(20)23/h4-10,16,22H,3H2,1-2H3