4-[(3-cyano-5-methoxycarbonyl-4-methyl-thiophen-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-cyano-5-methoxycarbonyl-4-methyl-thiophen-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-cyano-5-methoxycarbonyl-4-methyl-2-thienyl)amino]-4-oxo-butanoic acid CAS Name: 4-[(3-cyano-5-methoxycarbonyl-4-methyl-2-thiophenyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(3-cyano-5-methoxycarbonyl-4-methylthiophen-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(5-carbomethoxy-3-cyano-4-methyl-2-thienyl)amino]-4-keto-butyric acid Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CCC(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CCC(=O)O)C(=O)OC

InChI

InChI=1S/C12H12N2O5S/c1-6-7(5-13)11(20-10(6)12(18)19-2)14-8(15)3-4-9(16)17/h3-4H2,1-2H3,(H,14,15)(H,16,17)