(E)-4-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(3-cyano-4-ethyl-5-methyl-2-thiophenyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-4-keto-but-2-enoic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C=CC(=O)O)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)/C=C/C(=O)O)C

InChI

InChI=1S/C12H12N2O3S/c1-3-8-7(2)18-12(9(8)6-13)14-10(15)4-5-11(16)17/h4-5H,3H2,1-2H3,(H,14,15)(H,16,17)/b5-4+