methyl 3-[3-(1,2,4-triazol-1-yl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[3-(1,2,4-triazol-1-yl)propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[3-(1,2,4-triazol-1-yl)propanoylamino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(1,2,4-triazol-1-yl)propanoylamino]thiophene-2-carboxylate Traditional Name: 3-[3-(1,2,4-triazol-1-yl)propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C11H12N4O3S MolecularWeight: 280.30298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CCN2C=NC=N2

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CCN2C=NC=N2

InChI

InChI=1S/C11H12N4O3S/c1-18-11(17)10-8(3-5-19-10)14-9(16)2-4-15-7-12-6-13-15/h3,5-7H,2,4H2,1H3,(H,14,16)