[2-[3-chloranyl-4-(2-cyclopentylethanoylamino)phenyl]carbonylimino-1,3-thiazol-3-yl]methyl pyrrolidine-2-carboxylate

Systemtic Name: [2-[3-chloranyl-4-(2-cyclopentylethanoylamino)phenyl]carbonylimino-1,3-thiazol-3-yl]methyl pyrrolidine-2-carboxylate Openeye Name: [2-[3-chloro-4-[(2-cyclopentylacetyl)amino]benzoyl]iminothiazol-3-yl]methyl pyrrolidine-2-carboxylate CAS Name: 2-pyrrolidinecarboxylic acid [2-[[3-chloro-4-[(2-cyclopentyl-1-oxoethyl)amino]phenyl]-oxomethyl]imino-3-thiazolyl]methyl ester IUPAC Name: [2-[3-chloro-4-[(2-cyclopentylacetyl)amino]benzoyl]imino-1,3-thiazol-3-yl]methyl pyrrolidine-2-carboxylate Traditional Name: pyrrolidine-2-carboxylic acid [2-[3-chloro-4-[(2-cyclopentylacetyl)amino]benzoyl]imino-4-thiazolin-3-yl]methyl ester Formula: C23H27ClN4O4S MolecularWeight: 491.00288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)NC2=C(C=C(C=C2)C(=O)N=C3N(C=CS3)COC(=O)C4CCCN4)Cl

Isomeric SMILES

C1CCC(C1)CC(=O)NC2=C(C=C(C=C2)C(=O)N=C3N(C=CS3)COC(=O)C4CCCN4)Cl

InChI

InChI=1S/C23H27ClN4O4S/c24-17-13-16(7-8-18(17)26-20(29)12-15-4-1-2-5-15)21(30)27-23-28(10-11-33-23)14-32-22(31)19-6-3-9-25-19/h7-8,10-11,13,15,19,25H,1-6,9,12,14H2,(H,26,29)