(2-cyanophenyl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: (2-cyanophenyl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]nicotinic acid (2-cyanobenzyl) ester Formula: C23H17N3O5S MolecularWeight: 447.46318

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)OCC4=CC=CC=C4C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C23H17N3O5S/c24-11-15-4-1-2-5-16(15)12-29-23(28)18-6-3-9-25-22(18)32-13-21(27)26-17-7-8-19-20(10-17)31-14-30-19/h1-10H,12-14H2,(H,26,27)