methyl (Z)-6-acetamido-2-benzamido-3-methylsulfanyl-hex-2-enoate

Systemtic Name: methyl (Z)-6-acetamido-2-benzamido-3-methylsulfanyl-hex-2-enoate Openeye Name: methyl (Z)-6-acetamido-2-benzamido-3-methylsulfanyl-hex-2-enoate CAS Name: (Z)-6-acetamido-2-benzamido-3-(methylthio)-2-hexenoic acid methyl ester IUPAC Name: methyl (Z)-6-acetamido-2-benzamido-3-methylsulfanylhex-2-enoate Traditional Name: (Z)-6-acetamido-2-benzamido-3-(methylthio)hex-2-enoic acid methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC(=C(C(=O)OC)NC(=O)C1=CC=CC=C1)SC

Isomeric SMILES

CC(=O)NCCC/C(=C(\C(=O)OC)/NC(=O)C1=CC=CC=C1)/SC

InChI

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