[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)CSC1=CC=C(C=C1)OC

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)CSC1=CC=C(C=C1)OC

InChI

InChI=1S/C15H21NO4S/c1-4-9-16-15(18)11(2)20-14(17)10-21-13-7-5-12(19-3)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)/t11-/m0/s1