methyl (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H19NO5S/c1-20-16(19)12(7-8-23-2)17-15(18)6-4-11-3-5-13-14(9-11)22-10-21-13/h3-6,9,12H,7-8,10H2,1-2H3,(H,17,18)/b6-4+/t12-/m0/s1