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

Systemtic Name: [1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-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-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-chloropyridin-3-yl)amino]-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-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OC(C)C(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OC(C)C(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C20H20ClN3O3S/c1-12-10-16(13(2)24(12)11-15-6-5-9-28-15)20(26)27-14(3)19(25)23-17-7-4-8-22-18(17)21/h4-10,14H,11H2,1-3H3,(H,23,25)