(4-pyrazol-1-ylphenyl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C26H21N3O5S MolecularWeight: 487.52704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C26H21N3O5S/c30-25(28-19-8-11-22-23(14-19)34-17-33-22)16-35-24-5-2-1-4-21(24)26(31)32-15-18-6-9-20(10-7-18)29-13-3-12-27-29/h1-14H,15-17H2,(H,28,30)