methyl 5-[3-methoxycarbonyl-4-(phenylsulfanylmethyl)phenyl]-2-(phenylsulfanylmethyl)benzoate

Systemtic Name: methyl 5-[3-methoxycarbonyl-4-(phenylsulfanylmethyl)phenyl]-2-(phenylsulfanylmethyl)benzoate Openeye Name: methyl 5-[3-methoxycarbonyl-4-(phenylsulfanylmethyl)phenyl]-2-(phenylsulfanylmethyl)benzoate CAS Name: 5-[3-methoxycarbonyl-4-[(phenylthio)methyl]phenyl]-2-[(phenylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 5-[3-methoxycarbonyl-4-(phenylsulfanylmethyl)phenyl]-2-(phenylsulfanylmethyl)benzoate Traditional Name: 5-[3-carbomethoxy-4-[(phenylthio)methyl]phenyl]-2-[(phenylthio)methyl]benzoic acid methyl ester Formula: C30H26O4S2 MolecularWeight: 514.65504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C2=CC(=C(C=C2)CSC3=CC=CC=C3)C(=O)OC)CSC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C2=CC(=C(C=C2)CSC3=CC=CC=C3)C(=O)OC)CSC4=CC=CC=C4

InChI

InChI=1S/C30H26O4S2/c1-33-29(31)27-17-21(13-15-23(27)19-35-25-9-5-3-6-10-25)22-14-16-24(28(18-22)30(32)34-2)20-36-26-11-7-4-8-12-26/h3-18H,19-20H2,1-2H3