(1-butylsulfonyl-3-methoxy-propan-2-yl) 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: (1-butylsulfonyl-3-methoxy-propan-2-yl) 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfonylmethyl)-2-methoxy-ethyl] 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]acetic acid (1-butylsulfonyl-3-methoxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-3-methoxypropan-2-yl) 2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetic acid [1-(butylsulfonylmethyl)-2-methoxy-ethyl] ester Formula: C28H30N2O5S2 MolecularWeight: 538.6782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(COC)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCS(=O)(=O)CC(COC)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C28H30N2O5S2/c1-3-4-15-37(32,33)20-23(18-34-2)35-27(31)19-36-28-25(17-29)24(21-11-7-5-8-12-21)16-26(30-28)22-13-9-6-10-14-22/h5-14,16,23H,3-4,15,18-20H2,1-2H3