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

Systemtic Name: [1-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] pyridine-3-carboxylate Openeye Name: 1-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]propyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-1-oxobutan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid 1-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)carbamoyl]propyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)OC(=O)C2=CN=CC=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)OC(=O)C2=CN=CC=C2

InChI

InChI=1S/C19H19N3O5S/c1-4-14(27-18(24)12-7-6-8-21-10-12)16(23)22-17-13(9-20)11(3)15(28-17)19(25)26-5-2/h6-8,10,14H,4-5H2,1-3H3,(H,22,23)