methyl 6-[3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-5-oxidanyl-6-(4-phenethylphenyl)hexanoate

Systemtic Name: methyl 6-[3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-5-oxidanyl-6-(4-phenethylphenyl)hexanoate Openeye Name: methyl 5-hydroxy-6-[3-[(3-methoxy-3-oxo-propanoyl)amino]phenyl]sulfanyl-6-(4-phenethylphenyl)hexanoate CAS Name: 5-hydroxy-6-[[3-[(3-methoxy-1,3-dioxopropyl)amino]phenyl]thio]-6-(4-phenethylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 5-hydroxy-6-[3-[(3-methoxy-3-oxopropanoyl)amino]phenyl]sulfanyl-6-(4-phenethylphenyl)hexanoate Traditional Name: 5-hydroxy-6-[[3-[(3-keto-3-methoxy-propanoyl)amino]phenyl]thio]-6-(4-phenethylphenyl)hexanoic acid methyl ester Formula: C31H35NO6S MolecularWeight: 549.6777

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(C(C1=CC=C(C=C1)CCC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)CC(=O)OC)O

Isomeric SMILES

COC(=O)CCCC(C(C1=CC=C(C=C1)CCC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)CC(=O)OC)O

InChI

InChI=1S/C31H35NO6S/c1-37-29(35)13-7-12-27(33)31(24-18-16-23(17-19-24)15-14-22-8-4-3-5-9-22)39-26-11-6-10-25(20-26)32-28(34)21-30(36)38-2/h3-6,8-11,16-20,27,31,33H,7,12-15,21H2,1-2H3,(H,32,34)