[(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [(1S)-2-[cyclohexyl(thiazol-2-yl)amino]-1-methyl-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [(2S)-1-[cyclohexyl(2-thiazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [(1S)-2-[cyclohexyl(thiazol-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H22ClN3O3S MolecularWeight: 407.91428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C1CCCCC1)C2=NC=CS2)OC(=O)C3=CC(=C(C=C3)Cl)N

Isomeric SMILES

C[C@@H](C(=O)N(C1CCCCC1)C2=NC=CS2)OC(=O)C3=CC(=C(C=C3)Cl)N

InChI

InChI=1S/C19H22ClN3O3S/c1-12(26-18(25)13-7-8-15(20)16(21)11-13)17(24)23(19-22-9-10-27-19)14-5-3-2-4-6-14/h7-12,14H,2-6,21H2,1H3/t12-/m0/s1