ethyl 3-methyl-5-[2-(1,2,4-triazol-1-yl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-(1,2,4-triazol-1-yl)propanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[2-(1,2,4-triazol-1-yl)propanoylamino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[2-(1,2,4-triazol-1-yl)propanoylamino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[2-(1,2,4-triazol-1-yl)propanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C13H16N4O3S MolecularWeight: 308.35614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C(C)N2C=NC=N2)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C(C)N2C=NC=N2)C

InChI

InChI=1S/C13H16N4O3S/c1-4-20-13(19)11-8(2)5-10(21-11)16-12(18)9(3)17-7-14-6-15-17/h5-7,9H,4H2,1-3H3,(H,16,18)