methyl 7-[3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-7-(4-octylphenyl)-6-oxidanyl-heptanoate

Systemtic Name: methyl 7-[3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-7-(4-octylphenyl)-6-oxidanyl-heptanoate Openeye Name: methyl 6-hydroxy-7-[3-[(3-methoxy-3-oxo-propanoyl)amino]phenyl]sulfanyl-7-(4-octylphenyl)heptanoate CAS Name: 6-hydroxy-7-[[3-[(3-methoxy-1,3-dioxopropyl)amino]phenyl]thio]-7-(4-octylphenyl)heptanoic acid methyl ester IUPAC Name: methyl 6-hydroxy-7-[3-[(3-methoxy-3-oxopropanoyl)amino]phenyl]sulfanyl-7-(4-octylphenyl)heptanoate Traditional Name: 6-hydroxy-7-[[3-[(3-keto-3-methoxy-propanoyl)amino]phenyl]thio]-7-(4-octylphenyl)enanthic acid methyl ester Formula: C32H45NO6S MolecularWeight: 571.7678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(C(CCCCC(=O)OC)O)SC2=CC=CC(=C2)NC(=O)CC(=O)OC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(C(CCCCC(=O)OC)O)SC2=CC=CC(=C2)NC(=O)CC(=O)OC

InChI

InChI=1S/C32H45NO6S/c1-4-5-6-7-8-9-13-24-18-20-25(21-19-24)32(28(34)16-10-11-17-30(36)38-2)40-27-15-12-14-26(22-27)33-29(35)23-31(37)39-3/h12,14-15,18-22,28,32,34H,4-11,13,16-17,23H2,1-3H3,(H,33,35)