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

Systemtic Name: [2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[(3-carbethoxy-5-ethyl-4-methyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)COC(=O)C2=CN=CC=C2)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)COC(=O)C2=CN=CC=C2)C(=O)OCC)C

InChI

InChI=1S/C18H20N2O5S/c1-4-13-11(3)15(18(23)24-5-2)16(26-13)20-14(21)10-25-17(22)12-7-6-8-19-9-12/h6-9H,4-5,10H2,1-3H3,(H,20,21)