methyl (2S)-2-benzamido-4-[(Z)-3-methoxy-3-oxidanylidene-prop-1-enyl]sulfanyl-butanoate

Systemtic Name: methyl (2S)-2-benzamido-4-[(Z)-3-methoxy-3-oxidanylidene-prop-1-enyl]sulfanyl-butanoate Openeye Name: methyl (2S)-2-benzamido-4-[(Z)-3-methoxy-3-oxo-prop-1-enyl]sulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-[[(Z)-3-methoxy-3-oxoprop-1-enyl]thio]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-benzamido-4-[(Z)-3-methoxy-3-oxoprop-1-enyl]sulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-[[(Z)-3-keto-3-methoxy-prop-1-enyl]thio]butyric acid methyl ester Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CSCCC(C(=O)OC)NC(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)/C=C\SCC[C@@H](C(=O)OC)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H19NO5S/c1-21-14(18)9-11-23-10-8-13(16(20)22-2)17-15(19)12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,17,19)/b11-9-/t13-/m0/s1