(E)-4-[(3-methylphenyl)-(thiophen-2-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(3-methylphenyl)-(thiophen-2-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3-methyl-N-(2-thienylmethyl)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[3-methyl-N-(thiophen-2-ylmethyl)anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-methyl-N-(thiophen-2-ylmethyl)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[3-methyl-N-(2-thenyl)anilino]but-2-enoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CS2)C(=O)C=CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CS2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H15NO3S/c1-12-4-2-5-13(10-12)17(11-14-6-3-9-21-14)15(18)7-8-16(19)20/h2-10H,11H2,1H3,(H,19,20)/b8-7+