methyl (2R)-2-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(E)-3-(2,3-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(E)-3-(2,3-dimethoxyphenyl)acryloyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C17H23NO5S/c1-21-14-7-5-6-12(16(14)22-2)8-9-15(19)18-13(10-11-24-4)17(20)23-3/h5-9,13H,10-11H2,1-4H3,(H,18,19)/b9-8+/t13-/m1/s1