[1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: [1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: [2-(2-chloroanilino)-1-methyl-2-oxo-ethyl] 2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid [1-(2-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloroanilino)-1-oxopropan-2-yl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(2-thenyl)pyrrole-3-carboxylic acid [2-(2-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OC(C)C(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OC(C)C(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-13-11-17(14(2)24(13)12-16-7-6-10-28-16)21(26)27-15(3)20(25)23-19-9-5-4-8-18(19)22/h4-11,15H,12H2,1-3H3,(H,23,25)