methyl 6-[3-[methanoyl-(2-methoxy-2-oxidanylidene-ethyl)amino]phenyl]sulfanyl-2-(4-nonylphenyl)-5-oxidanyl-hexanoate

Systemtic Name: methyl 6-[3-[methanoyl-(2-methoxy-2-oxidanylidene-ethyl)amino]phenyl]sulfanyl-2-(4-nonylphenyl)-5-oxidanyl-hexanoate Openeye Name: methyl 6-[3-[formyl-(2-methoxy-2-oxo-ethyl)amino]phenyl]sulfanyl-5-hydroxy-2-(4-nonylphenyl)hexanoate CAS Name: 6-[[3-[formyl-(2-methoxy-2-oxoethyl)amino]phenyl]thio]-5-hydroxy-2-(4-nonylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 6-[3-[formyl-(2-methoxy-2-oxoethyl)amino]phenyl]sulfanyl-5-hydroxy-2-(4-nonylphenyl)hexanoate Traditional Name: 6-[[3-[formyl-(2-keto-2-methoxy-ethyl)amino]phenyl]thio]-5-hydroxy-2-(4-nonylphenyl)hexanoic acid methyl ester Formula: C32H45NO6S MolecularWeight: 571.7678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCC(CSC2=CC=CC(=C2)N(CC(=O)OC)C=O)O)C(=O)OC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCC(CSC2=CC=CC(=C2)N(CC(=O)OC)C=O)O)C(=O)OC

InChI

InChI=1S/C32H45NO6S/c1-4-5-6-7-8-9-10-12-25-15-17-26(18-16-25)30(32(37)39-3)20-19-28(35)23-40-29-14-11-13-27(21-29)33(24-34)22-31(36)38-2/h11,13-18,21,24,28,30,35H,4-10,12,19-20,22-23H2,1-3H3