[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]acetic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CSCC2=C(ON=C2C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CSCC2=C(ON=C2C)C

InChI

InChI=1S/C18H22N2O4S/c1-11-5-7-15(8-6-11)19-18(22)14(4)23-17(21)10-25-9-16-12(2)20-24-13(16)3/h5-8,14H,9-10H2,1-4H3,(H,19,22)/t14-/m0/s1