(4-benzamidophenyl) 7-[2-(2-methyl-2-oxidanyl-heptyl)sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: (4-benzamidophenyl) 7-[2-(2-methyl-2-oxidanyl-heptyl)sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: (4-benzamidophenyl) 7-[3-hydroxy-2-(2-hydroxy-2-methyl-heptyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[3-hydroxy-2-[(2-hydroxy-2-methylheptyl)thio]-5-oxocyclopentyl]heptanoic acid (4-benzamidophenyl) ester IUPAC Name: (4-benzamidophenyl) 7-[3-hydroxy-2-(2-hydroxy-2-methylheptyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[3-hydroxy-2-[(2-hydroxy-2-methyl-heptyl)thio]-5-keto-cyclopentyl]enanthic acid (4-benzamidophenyl) ester Formula: C33H45NO6S MolecularWeight: 583.7785

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CSC1C(CC(=O)C1CCCCCCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)O)O

Isomeric SMILES

CCCCCC(C)(CSC1C(CC(=O)C1CCCCCCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)O)O

InChI

InChI=1S/C33H45NO6S/c1-3-4-12-21-33(2,39)23-41-31-27(28(35)22-29(31)36)15-10-5-6-11-16-30(37)40-26-19-17-25(18-20-26)34-32(38)24-13-8-7-9-14-24/h7-9,13-14,17-20,27,29,31,36,39H,3-6,10-12,15-16,21-23H2,1-2H3,(H,34,38)