methyl 5-propylsulfanylcarbonyl-2-[(3-propylsulfanylcarbonylphenyl)methyl]benzoate

Systemtic Name: methyl 5-propylsulfanylcarbonyl-2-[(3-propylsulfanylcarbonylphenyl)methyl]benzoate Openeye Name: methyl 5-propylsulfanylcarbonyl-2-[(3-propylsulfanylcarbonylphenyl)methyl]benzoate CAS Name: 5-[oxo-(propylthio)methyl]-2-[[3-[oxo-(propylthio)methyl]phenyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 5-propylsulfanylcarbonyl-2-[(3-propylsulfanylcarbonylphenyl)methyl]benzoate Traditional Name: 5-(propylthio)carbonyl-2-[3-(propylthio)carbonylbenzyl]benzoic acid methyl ester Formula: C23H26O4S2 MolecularWeight: 430.58014

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=O)C1=CC(=CC=C1)CC2=C(C=C(C=C2)C(=O)SCCC)C(=O)OC

Isomeric SMILES

CCCSC(=O)C1=CC(=CC=C1)CC2=C(C=C(C=C2)C(=O)SCCC)C(=O)OC

InChI

InChI=1S/C23H26O4S2/c1-4-11-28-22(25)18-8-6-7-16(14-18)13-17-9-10-19(23(26)29-12-5-2)15-20(17)21(24)27-3/h6-10,14-15H,4-5,11-13H2,1-3H3