(E)-2-benzamido-3-methylsulfanyl-but-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-methylsulfanyl-but-2-enoic acid Openeye Name: (E)-2-benzamido-3-methylsulfanyl-but-2-enoic acid CAS Name: (E)-2-benzamido-3-(methylthio)-2-butenoic acid IUPAC Name: (E)-2-benzamido-3-methylsulfanylbut-2-enoic acid Traditional Name: (E)-2-benzamido-3-(methylthio)but-2-enoic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3S/c1-8(17-2)10(12(15)16)13-11(14)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14)(H,15,16)/b10-8+