[(2S)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [(2S)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [(1S)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [(1S)-2-(carbomethoxyamino)-2-keto-1-methyl-ethyl] ester Formula: C14H16ClNO5S MolecularWeight: 345.79854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)OC)OC(=O)CCSC1=CC=C(C=C1)Cl

Isomeric SMILES

C[C@@H](C(=O)NC(=O)OC)OC(=O)CCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H16ClNO5S/c1-9(13(18)16-14(19)20-2)21-12(17)7-8-22-11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,16,18,19)/t9-/m0/s1