(1-butylsulfanyl-3-prop-2-enoxy-propan-2-yl) 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: (1-butylsulfanyl-3-prop-2-enoxy-propan-2-yl) 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(allyloxymethyl)-2-butylsulfanyl-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-(butylthio)-3-prop-2-enoxypropan-2-yl] ester IUPAC Name: (1-butylsulfanyl-3-prop-2-enoxypropan-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 [1-(allyloxymethyl)-2-(butylthio)ethyl] ester Formula: C28H30N2O3S3 MolecularWeight: 538.7444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(COCC=C)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCSCC(COCC=C)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C28H30N2O3S3/c1-3-5-14-34-19-22(18-32-13-4-2)33-27(31)20-36-28-24(17-29)23(21-10-7-6-8-11-21)16-25(30-28)26-12-9-15-35-26/h4,6-12,15-16,22H,2-3,5,13-14,18-20H2,1H3