[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C18H17N3O3S MolecularWeight: 355.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCC3=CC=CS3

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C18H17N3O3S/c22-17(19-10-8-16-3-1-12-25-16)13-24-18(23)14-4-6-15(7-5-14)21-11-2-9-20-21/h1-7,9,11-12H,8,10,13H2,(H,19,22)