[(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate

Systemtic Name: [(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate Openeye Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinecarboxylic acid [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)nicotinic acid [(1R)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN(C)C(=O)[C@@H](C1=CC=CC=C1)OC(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H22N2O5S/c1-26(2)23(27)21(16-7-4-3-5-8-16)31-24(28)18-9-6-12-25-22(18)32-17-10-11-19-20(15-17)30-14-13-29-19/h3-12,15,21H,13-14H2,1-2H3/t21-/m1/s1