1,3-bis(butylsulfonyl)propan-2-yl 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: 1,3-bis(butylsulfonyl)propan-2-yl 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: [2-butylsulfonyl-1-(butylsulfonylmethyl)ethyl] 2-[[3-cyano-4-phenyl-6-(2-thienyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)thio]acetic acid 1,3-bis(butylsulfonyl)propan-2-yl ester IUPAC Name: 1,3-bis(butylsulfonyl)propan-2-yl 2-(3-cyano-4-phenyl-6-thiophen-2-ylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[[3-cyano-4-phenyl-6-(2-thienyl)-2-pyridyl]thio]acetic acid [2-butylsulfonyl-1-(butylsulfonylmethyl)ethyl] ester Formula: C29H34N2O6S4 MolecularWeight: 634.85006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(CS(=O)(=O)CCCC)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCS(=O)(=O)CC(CS(=O)(=O)CCCC)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C29H34N2O6S4/c1-3-5-15-40(33,34)20-23(21-41(35,36)16-6-4-2)37-28(32)19-39-29-25(18-30)24(22-11-8-7-9-12-22)17-26(31-29)27-13-10-14-38-27/h7-14,17,23H,3-6,15-16,19-21H2,1-2H3