ethyl 2-(1H-1,2,4-triazol-5-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(1H-1,2,4-triazol-5-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(1H-1,2,4-triazole-5-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo(1H-1,2,4-triazol-5-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1H-1,2,4-triazole-5-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(1H-1,2,4-triazole-5-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC=NN3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC=NN3

InChI

InChI=1S/C14H16N4O3S/c1-2-21-14(20)10-8-5-3-4-6-9(8)22-13(10)17-12(19)11-15-7-16-18-11/h7H,2-6H2,1H3,(H,17,19)(H,15,16,18)