(E)-4-[[2-methyl-5-(thiophen-2-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[2-methyl-5-(thiophen-2-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-methyl-5-[[oxo(thiophen-2-yl)methyl]amino]anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[2-methyl-5-(2-thenoylamino)anilino]but-2-enoic acid Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)NC(=O)C=CC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H14N2O4S/c1-10-4-5-11(17-16(22)13-3-2-8-23-13)9-12(10)18-14(19)6-7-15(20)21/h2-9H,1H3,(H,17,22)(H,18,19)(H,20,21)/b7-6+