methyl (2R)-2-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(E)-3-(3,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(E)-3-(3,5-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(=C1)C=CC(=O)NC(CCSC)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C/C(=O)N[C@H](CCSC)C(=O)OC)OC

InChI

InChI=1S/C17H23NO5S/c1-21-13-9-12(10-14(11-13)22-2)5-6-16(19)18-15(7-8-24-4)17(20)23-3/h5-6,9-11,15H,7-8H2,1-4H3,(H,18,19)/b6-5+/t15-/m1/s1