[(2S)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [(2S)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [(1S)-2-(2-acetylanilino)-1-methyl-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [(1S)-2-(2-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=C(C=CS2)N3C=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=C(C=CS2)N3C=CC=C3

InChI

InChI=1S/C20H18N2O4S/c1-13(23)15-7-3-4-8-16(15)21-19(24)14(2)26-20(25)18-17(9-12-27-18)22-10-5-6-11-22/h3-12,14H,1-2H3,(H,21,24)/t14-/m0/s1