methyl 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylsulfanyl]cycloheptyl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylsulfanyl]cycloheptyl]-3-oxidanylidene-propanoate Openeye Name: methyl 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylsulfanyl]cycloheptyl]-3-oxo-propanoate CAS Name: 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylthio]cycloheptyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 2-(2,4-dimethylphenyl)-3-[1-[(4-methoxyphenyl)methylsulfanyl]cycloheptyl]-3-oxopropanoate Traditional Name: 2-(2,4-dimethylphenyl)-3-keto-3-[1-(p-anisylthio)cycloheptyl]propionic acid methyl ester Formula: C27H34O4S MolecularWeight: 454.62146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C(=O)C2(CCCCCC2)SCC3=CC=C(C=C3)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C(=O)C2(CCCCCC2)SCC3=CC=C(C=C3)OC)C(=O)OC)C

InChI

InChI=1S/C27H34O4S/c1-19-9-14-23(20(2)17-19)24(26(29)31-4)25(28)27(15-7-5-6-8-16-27)32-18-21-10-12-22(30-3)13-11-21/h9-14,17,24H,5-8,15-16,18H2,1-4H3