methyl (2Z)-2-[2-[(4-methoxyphenyl)methoxy]ethylidene]-3-(phenylsulfonyl)cycloheptane-1-carboxylate

Systemtic Name: methyl (2Z)-2-[2-[(4-methoxyphenyl)methoxy]ethylidene]-3-(phenylsulfonyl)cycloheptane-1-carboxylate Openeye Name: methyl (2Z)-3-(benzenesulfonyl)-2-[2-[(4-methoxyphenyl)methoxy]ethylidene]cycloheptanecarboxylate CAS Name: (2Z)-3-(benzenesulfonyl)-2-[2-[(4-methoxyphenyl)methoxy]ethylidene]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl (2Z)-3-(benzenesulfonyl)-2-[2-[(4-methoxyphenyl)methoxy]ethylidene]cycloheptane-1-carboxylate Traditional Name: (2Z)-3-besyl-2-(2-p-anisyloxyethylidene)cycloheptanecarboxylic acid methyl ester Formula: C25H30O6S MolecularWeight: 458.5671

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COCC=C2C(CCCCC2S(=O)(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)COC/C=C\2/C(CCCCC2S(=O)(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H30O6S/c1-29-20-14-12-19(13-15-20)18-31-17-16-22-23(25(26)30-2)10-6-7-11-24(22)32(27,28)21-8-4-3-5-9-21/h3-5,8-9,12-16,23-24H,6-7,10-11,17-18H2,1-2H3/b22-16-