tert-butyl (4R)-4-[(3-chlorophenyl)carbamoyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate

Systemtic Name: tert-butyl (4R)-4-[(3-chlorophenyl)carbamoyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl (4R)-4-[(3-chlorophenyl)carbamoyl]-2-(3-pyridyl)thiazolidine-3-carboxylate CAS Name: (4R)-4-[(3-chloroanilino)-oxomethyl]-2-(3-pyridinyl)-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R)-4-[(3-chlorophenyl)carbamoyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Traditional Name: (4R)-4-[(3-chlorophenyl)carbamoyl]-2-(3-pyridyl)thiazolidine-3-carboxylic acid tert-butyl ester Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CSC1C2=CN=CC=C2)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H](CSC1C2=CN=CC=C2)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H22ClN3O3S/c1-20(2,3)27-19(26)24-16(12-28-18(24)13-6-5-9-22-11-13)17(25)23-15-8-4-7-14(21)10-15/h4-11,16,18H,12H2,1-3H3,(H,23,25)/t16-,18?/m0/s1