[1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate

Systemtic Name: [1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenecarboxylic acid [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylic acid [2-keto-2-(2-methoxy-5-methyl-anilino)-1-methyl-ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)OC(=O)C2=C(SC(=C2C)C)N3C=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(C)OC(=O)C2=C(SC(=C2C)C)N3C=CC=C3

InChI

InChI=1S/C22H24N2O4S/c1-13-8-9-18(27-5)17(12-13)23-20(25)15(3)28-22(26)19-14(2)16(4)29-21(19)24-10-6-7-11-24/h6-12,15H,1-5H3,(H,23,25)