[5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl pyridine-4-carboxylate

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl pyridine-4-carboxylate Openeye Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl ester IUPAC Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid [5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC=NC=C2)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC=NC=C2)C(=O)NC)N

InChI

InChI=1S/C16H17N3O5S/c1-3-23-16(22)11-10(12(14(20)18-2)25-13(11)17)8-24-15(21)9-4-6-19-7-5-9/h4-7H,3,8,17H2,1-2H3,(H,18,20)