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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3S/c1-4-20-13(19)11-8(2)9(3)21-12(11)16-10(18)5-17-7-14-6-15-17/h6-7H,4-5H2,1-3H3,(H,16,18)