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

Systemtic Name: methyl (2R)-2-[[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)acryloyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H22ClNO5S MolecularWeight: 387.87828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NC(CCSC)C(=O)OC)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClNO5S/c1-22-14-10-11(9-12(18)16(14)23-2)5-6-15(20)19-13(7-8-25-4)17(21)24-3/h5-6,9-10,13H,7-8H2,1-4H3,(H,19,20)/b6-5+/t13-/m1/s1