5-[5-(2-cyanoethanoylamino)-4-ethoxycarbonyl-thiophen-2-yl]thiophene-2-carboxylic acid

Systemtic Name: 5-[5-(2-cyanoethanoylamino)-4-ethoxycarbonyl-thiophen-2-yl]thiophene-2-carboxylic acid Openeye Name: 5-[5-[(2-cyanoacetyl)amino]-4-ethoxycarbonyl-2-thienyl]thiophene-2-carboxylic acid CAS Name: 5-[5-[(2-cyano-1-oxoethyl)amino]-4-ethoxycarbonyl-2-thiophenyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[5-[(2-cyanoacetyl)amino]-4-ethoxycarbonylthiophen-2-yl]thiophene-2-carboxylic acid Traditional Name: 5-[4-carbethoxy-5-[(2-cyanoacetyl)amino]-2-thienyl]-2-thenoic acid Formula: C15H12N2O5S2 MolecularWeight: 364.39618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=C(S2)C(=O)O)NC(=O)CC#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=C(S2)C(=O)O)NC(=O)CC#N

InChI

InChI=1S/C15H12N2O5S2/c1-2-22-15(21)8-7-11(9-3-4-10(23-9)14(19)20)24-13(8)17-12(18)5-6-16/h3-4,7H,2,5H2,1H3,(H,17,18)(H,19,20)