[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 2-(3-chlorophenyl)thiazole-4-carboxylate CAS Name: 2-(3-chlorophenyl)-4-thiazolecarboxylic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-chlorophenyl)thiazole-4-carboxylic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CSC(=N2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)C2=CSC(=N2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN2O3S/c1-13(18(24)22-16-9-4-2-3-5-10-16)26-20(25)17-12-27-19(23-17)14-7-6-8-15(21)11-14/h6-8,11-13,16H,2-5,9-10H2,1H3,(H,22,24)/t13-/m1/s1