S-[[5-[(4-methylphenyl)carbonylsulfanylmethyl]-2-oxidanylidene-oxolan-3-yl]methyl] 4-methylbenzenecarbothioate

Systemtic Name: S-[[5-[(4-methylphenyl)carbonylsulfanylmethyl]-2-oxidanylidene-oxolan-3-yl]methyl] 4-methylbenzenecarbothioate Openeye Name: S-[[5-[(4-methylbenzoyl)sulfanylmethyl]-2-oxo-tetrahydrofuran-3-yl]methyl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-[[5-[[[(4-methylphenyl)-oxomethyl]thio]methyl]-2-oxo-3-oxolanyl]methyl] ester IUPAC Name: S-[[5-[(4-methylbenzoyl)sulfanylmethyl]-2-oxooxolan-3-yl]methyl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-[[2-keto-5-[(p-toluoylthio)methyl]tetrahydrofuran-3-yl]methyl] ester Formula: C22H22O4S2 MolecularWeight: 414.53768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SCC2CC(OC2=O)CSC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SCC2CC(OC2=O)CSC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H22O4S2/c1-14-3-7-16(8-4-14)21(24)27-12-18-11-19(26-20(18)23)13-28-22(25)17-9-5-15(2)6-10-17/h3-10,18-19H,11-13H2,1-2H3