[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

C1=CSC(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C16H14N4O3S/c21-15(18-8-14-2-1-7-24-14)9-23-16(22)12-3-5-13(6-4-12)20-11-17-10-19-20/h1-7,10-11H,8-9H2,(H,18,21)