methyl 2-[(2S)-1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[(2S)-1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl]sulfanylethanoate Openeye Name: methyl 2-[(1S)-2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[(2S)-1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl]sulfanylacetate Traditional Name: 2-[[(1S)-2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl]thio]acetic acid methyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)SCC(=O)OC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)[C@H](C)SCC(=O)OC

InChI

InChI=1S/C16H21NO4S/c1-4-5-14(18)17-13-8-6-12(7-9-13)16(20)11(2)22-10-15(19)21-3/h6-9,11H,4-5,10H2,1-3H3,(H,17,18)/t11-/m0/s1