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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CS2)N3C=CC=C3

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CS2)N3C=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-16(2)23(14-17-8-4-3-5-9-17)19(24)15-26-21(25)20-18(10-13-27-20)22-11-6-7-12-22/h3-13,16H,14-15H2,1-2H3