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

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [(2S)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-(benzylamino)-1-oxopropan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [(1S)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=CS2)N3C=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=CS2)N3C=CC=C3

InChI

InChI=1S/C19H18N2O3S/c1-14(18(22)20-13-15-7-3-2-4-8-15)24-19(23)17-16(9-12-25-17)21-10-5-6-11-21/h2-12,14H,13H2,1H3,(H,20,22)/t14-/m0/s1