(3-cyanophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxidanylidene-5,6-dihydrocyclohepta[a]naphthalen-6-yl)ethanoate

Systemtic Name: (3-cyanophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxidanylidene-5,6-dihydrocyclohepta[a]naphthalen-6-yl)ethanoate Openeye Name: (3-cyanophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate CAS Name: 2-[1,2,3-trimethoxy-9-(methylthio)-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl]acetic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate Traditional Name: 2-[8-keto-1,2,3-trimethoxy-9-(methylthio)-5,6-dihydrocyclohepta[a]naphthalen-6-yl]acetic acid (3-cyanophenyl) ester Formula: C28H25NO6S MolecularWeight: 503.5662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=CC(=C4)C#N)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=CC(=C4)C#N)OC)OC

InChI

InChI=1S/C28H25NO6S/c1-32-23-12-18-11-17(13-25(31)35-19-7-5-6-16(10-19)15-29)21-14-22(30)24(36-4)9-8-20(21)26(18)28(34-3)27(23)33-2/h5-10,12,14,17H,11,13H2,1-4H3