(2-oxidanylideneazepan-3-yl) 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: (2-oxoazepan-3-yl) 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid (2-ketoazepan-3-yl) ester Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC(=O)C2=C(C=CS2)N3C=CC=C3

Isomeric SMILES

C1CCNC(=O)C(C1)OC(=O)C2=C(C=CS2)N3C=CC=C3

InChI

InChI=1S/C15H16N2O3S/c18-14-12(5-1-2-7-16-14)20-15(19)13-11(6-10-21-13)17-8-3-4-9-17/h3-4,6,8-10,12H,1-2,5,7H2,(H,16,18)