sulfanyl 7-chloranyl-4-methoxy-4-methyl-2-(2-methylphenyl)-3-oxidanylidene-2-(phenylmethyl)heptanoate

Systemtic Name: sulfanyl 7-chloranyl-4-methoxy-4-methyl-2-(2-methylphenyl)-3-oxidanylidene-2-(phenylmethyl)heptanoate Openeye Name: sulfanyl 2-benzyl-7-chloro-4-methoxy-4-methyl-2-(o-tolyl)-3-oxo-heptanoate CAS Name: 7-chloro-4-methoxy-4-methyl-2-(2-methylphenyl)-3-oxo-2-(phenylmethyl)heptanoic acid mercapto ester IUPAC Name: sulfanyl 2-benzyl-7-chloro-4-methoxy-4-methyl-2-(2-methylphenyl)-3-oxoheptanoate Traditional Name: 2-benzyl-7-chloro-3-keto-4-methoxy-4-methyl-2-(o-tolyl)enanthic acid mercapto ester Formula: C23H27ClO4S MolecularWeight: 434.97608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC2=CC=CC=C2)(C(=O)C(C)(CCCCl)OC)C(=O)OS

Isomeric SMILES

CC1=CC=CC=C1C(CC2=CC=CC=C2)(C(=O)C(C)(CCCCl)OC)C(=O)OS

InChI

InChI=1S/C23H27ClO4S/c1-17-10-7-8-13-19(17)23(21(26)28-29,16-18-11-5-4-6-12-18)20(25)22(2,27-3)14-9-15-24/h4-8,10-13,29H,9,14-16H2,1-3H3