[1-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate

Systemtic Name: [1-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate Openeye Name: [2-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-4-25-18(24)14-10(2)13(9-19)16(27-14)21-15(22)11(3)26-17(23)12-5-7-20-8-6-12/h5-8,11H,4H2,1-3H3,(H,21,22)