(E)-4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[methyl-[[4-(methylthio)phenyl]methyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[methyl-[4-(methylthio)benzyl]amino]but-2-enoic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C=CC(=O)O

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H15NO3S/c1-14(12(15)7-8-13(16)17)9-10-3-5-11(18-2)6-4-10/h3-8H,9H2,1-2H3,(H,16,17)/b8-7+