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

Systemtic Name: methyl (2R)-2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-4-methylsulfanyl-2-[[(E)-3-(o-tolyl)prop-2-enoyl]amino]butanoate CAS Name: (2R)-2-[[(E)-3-(2-methylphenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-[[(E)-3-(o-tolyl)acryloyl]amino]butyric acid methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3S/c1-12-6-4-5-7-13(12)8-9-15(18)17-14(10-11-21-3)16(19)20-2/h4-9,14H,10-11H2,1-3H3,(H,17,18)/b9-8+/t14-/m1/s1