methyl (2R)-2-[[(Z)-2-acetamido-3-phenyl-prop-2-enoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[(Z)-2-acetamido-3-phenyl-prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[(Z)-2-acetamido-3-phenyl-prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(Z)-2-acetamido-1-oxo-3-phenylprop-2-enyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(Z)-2-acetamido-3-phenyl-acryloyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-12(20)18-15(11-13-7-5-4-6-8-13)16(21)19-14(9-10-24-3)17(22)23-2/h4-8,11,14H,9-10H2,1-3H3,(H,18,20)(H,19,21)/b15-11-/t14-/m1/s1