[2-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC(=O)C2=CC=NC=C2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC(=O)C2=CC=NC=C2)C#N)C

InChI

InChI=1S/C17H15N3O5S/c1-3-24-17(23)14-10(2)12(8-18)15(26-14)20-13(21)9-25-16(22)11-4-6-19-7-5-11/h4-7H,3,9H2,1-2H3,(H,20,21)