4-[(5-aminocarbonyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[(5-aminocarbonyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thienyl)amino]-4-oxo-but-2-enoic acid CAS Name: 4-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-4-oxo-2-butenoic acid IUPAC Name: 4-[(5-carbamoyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid Traditional Name: 4-[(5-carbamoyl-3-carbethoxy-4-methyl-2-thienyl)amino]-4-keto-but-2-enoic acid Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C=CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C=CC(=O)O

InChI

InChI=1S/C13H14N2O6S/c1-3-21-13(20)9-6(2)10(11(14)19)22-12(9)15-7(16)4-5-8(17)18/h4-5H,3H2,1-2H3,(H2,14,19)(H,15,16)(H,17,18)