methyl 6-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]sulfanyl-2-(4-nonylphenyl)-5-oxidanyl-hexanoate

Systemtic Name: methyl 6-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]sulfanyl-2-(4-nonylphenyl)-5-oxidanyl-hexanoate Openeye Name: methyl 6-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]sulfanyl-5-hydroxy-2-(4-nonylphenyl)hexanoate CAS Name: 6-[[2-[[(4-chlorophenyl)methylamino]-oxomethyl]phenyl]thio]-5-hydroxy-2-(4-nonylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 6-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]sulfanyl-5-hydroxy-2-(4-nonylphenyl)hexanoate Traditional Name: 6-[[2-[(4-chlorobenzyl)carbamoyl]phenyl]thio]-5-hydroxy-2-(4-nonylphenyl)hexanoic acid methyl ester Formula: C36H46ClNO4S MolecularWeight: 624.27274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCC(CSC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)Cl)O)C(=O)OC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCC(CSC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)Cl)O)C(=O)OC

InChI

InChI=1S/C36H46ClNO4S/c1-3-4-5-6-7-8-9-12-27-15-19-29(20-16-27)32(36(41)42-2)24-23-31(39)26-43-34-14-11-10-13-33(34)35(40)38-25-28-17-21-30(37)22-18-28/h10-11,13-22,31-32,39H,3-9,12,23-26H2,1-2H3,(H,38,40)