[(2R)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-3-methyl-benzoate

Systemtic Name: [(2R)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-3-methyl-benzoate Openeye Name: [(1R)-2-[cyclohexyl(thiazol-2-yl)amino]-1-methyl-2-oxo-ethyl] 2-acetamido-3-methyl-benzoate CAS Name: 2-acetamido-3-methylbenzoic acid [(2R)-1-[cyclohexyl(2-thiazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-acetamido-3-methylbenzoate Traditional Name: 2-acetamido-3-methyl-benzoic acid [(1R)-2-[cyclohexyl(thiazol-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C)C(=O)OC(C)C(=O)N(C2CCCCC2)C3=NC=CS3

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C)C(=O)O[C@H](C)C(=O)N(C2CCCCC2)C3=NC=CS3

InChI

InChI=1S/C22H27N3O4S/c1-14-8-7-11-18(19(14)24-16(3)26)21(28)29-15(2)20(27)25(22-23-12-13-30-22)17-9-5-4-6-10-17/h7-8,11-13,15,17H,4-6,9-10H2,1-3H3,(H,24,26)/t15-/m1/s1