4-ethoxycarbonyl-3-methyl-5-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]thiophene-2-carboxylic acid

Systemtic Name: 4-ethoxycarbonyl-3-methyl-5-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]thiophene-2-carboxylic acid Openeye Name: 4-ethoxycarbonyl-5-[(4-hydroxy-4-oxo-butanoyl)amino]-3-methyl-thiophene-2-carboxylic acid CAS Name: 4-ethoxycarbonyl-5-[(4-hydroxy-1,4-dioxobutyl)amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 4-ethoxycarbonyl-5-[(4-hydroxy-4-oxobutanoyl)amino]-3-methylthiophene-2-carboxylic acid Traditional Name: 4-carbethoxy-5-[(4-hydroxy-4-keto-butanoyl)amino]-3-methyl-2-thenoic acid Formula: C13H15NO7S MolecularWeight: 329.3257

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)O)NC(=O)CCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C13H15NO7S/c1-3-21-13(20)9-6(2)10(12(18)19)22-11(9)14-7(15)4-5-8(16)17/h3-5H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)