S-[1-(6-phenoxypyridin-2-yl)ethyl] 2-(3H-1,2-benzodioxol-6-yl)-3-methyl-butanethioate

Systemtic Name: S-[1-(6-phenoxypyridin-2-yl)ethyl] 2-(3H-1,2-benzodioxol-6-yl)-3-methyl-butanethioate Openeye Name: S-[1-(6-phenoxy-2-pyridyl)ethyl] 2-(3H-1,2-benzodioxol-6-yl)-3-methyl-butanethioate CAS Name: 2-(3H-1,2-benzodioxol-6-yl)-3-methylbutanethioic acid S-[1-(6-phenoxy-2-pyridinyl)ethyl] ester IUPAC Name: S-[1-(6-phenoxypyridin-2-yl)ethyl] 2-(3H-1,2-benzodioxol-6-yl)-3-methylbutanethioate Traditional Name: 2-(3H-1,2-benzodioxol-6-yl)-3-methyl-butanethioic acid S-[1-(6-phenoxy-2-pyridyl)ethyl] ester Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(COO2)C=C1)C(=O)SC(C)C3=NC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=CC2=C(COO2)C=C1)C(=O)SC(C)C3=NC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H25NO4S/c1-16(2)24(18-12-13-19-15-28-30-22(19)14-18)25(27)31-17(3)21-10-7-11-23(26-21)29-20-8-5-4-6-9-20/h4-14,16-17,24H,15H2,1-3H3