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

Systemtic Name: [(2R)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-3-methyl-benzoate Openeye Name: [(1R)-2-[cyclohexyl(thiazol-2-yl)amino]-1-methyl-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-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-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [(1R)-2-[cyclohexyl(thiazol-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OC(C)C(=O)N(C2CCCCC2)C3=NC=CS3

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)O[C@H](C)C(=O)N(C2CCCCC2)C3=NC=CS3

InChI

InChI=1S/C20H25N3O3S/c1-13-7-6-10-16(17(13)21)19(25)26-14(2)18(24)23(20-22-11-12-27-20)15-8-4-3-5-9-15/h6-7,10-12,14-15H,3-5,8-9,21H2,1-2H3/t14-/m1/s1