dimethyl 5-azanyl-3-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[oxo-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[2-(1,2,4-triazol-1-yl)nicotinoyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H15N5O6S MolecularWeight: 417.3959

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=C(N=CC=C2)N3C=NC=N3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=C(N=CC=C2)N3C=NC=N3)C(=O)OC)N

InChI

InChI=1S/C17H15N5O6S/c1-26-16(24)11-10(12(17(25)27-2)29-13(11)18)6-28-15(23)9-4-3-5-20-14(9)22-8-19-7-21-22/h3-5,7-8H,6,18H2,1-2H3