[1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [2-[(2-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [2-keto-1-methyl-2-(o-anisylamino)ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)OC(=O)C2=C(C=CS2)N3C=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1OC)OC(=O)C2=C(C=CS2)N3C=CC=C3

InChI

InChI=1S/C20H20N2O4S/c1-14(19(23)21-13-15-7-3-4-8-17(15)25-2)26-20(24)18-16(9-12-27-18)22-10-5-6-11-22/h3-12,14H,13H2,1-2H3,(H,21,23)