diethyl 5-[2-(3-cyano-1,2,4-triazol-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(3-cyano-1,2,4-triazol-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(3-cyano-1,2,4-triazol-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(3-cyano-1,2,4-triazol-1-yl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(3-cyano-1,2,4-triazol-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(3-cyano-1,2,4-triazol-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C16H17N5O5S MolecularWeight: 391.40168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C=NC(=N2)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C=NC(=N2)C#N

InChI

InChI=1S/C16H17N5O5S/c1-4-25-15(23)12-9(3)13(16(24)26-5-2)27-14(12)19-11(22)7-21-8-18-10(6-17)20-21/h8H,4-5,7H2,1-3H3,(H,19,22)