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

Systemtic Name: methyl (2R)-2-[[(E)-3-(2-methoxy-5-methyl-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[(E)-3-(2-methoxy-5-methyl-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(E)-3-(2-methoxy-5-methylphenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(E)-3-(2-methoxy-5-methyl-phenyl)acryloyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C=CC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)/C=C/C(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C17H23NO4S/c1-12-5-7-15(21-2)13(11-12)6-8-16(19)18-14(9-10-23-4)17(20)22-3/h5-8,11,14H,9-10H2,1-4H3,(H,18,19)/b8-6+/t14-/m1/s1