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

Systemtic Name: [1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-15(19(23)21(2)14-16-8-4-3-5-9-16)25-20(24)18-17(10-13-26-18)22-11-6-7-12-22/h3-13,15H,14H2,1-2H3