[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-(p-tolylmethylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)methylthio]acetic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methylbenzyl)thio]acetic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)OC(C)C(=O)NC2CC2

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)O[C@H](C)C(=O)NC2CC2

InChI

InChI=1S/C16H21NO3S/c1-11-3-5-13(6-4-11)9-21-10-15(18)20-12(2)16(19)17-14-7-8-14/h3-6,12,14H,7-10H2,1-2H3,(H,17,19)/t12-/m1/s1