methyl 17-methylsulfanyl-19-naphthalen-1-yl-bicyclo[13.4.0]nonadeca-1(15),16,18-triene-16-carboxylate

Systemtic Name: methyl 17-methylsulfanyl-19-naphthalen-1-yl-bicyclo[13.4.0]nonadeca-1(15),16,18-triene-16-carboxylate Openeye Name: methyl 17-methylsulfanyl-19-(1-naphthyl)bicyclo[13.4.0]nonadeca-1(15),16,18-triene-16-carboxylate CAS Name: 17-(methylthio)-19-(1-naphthalenyl)-16-bicyclo[13.4.0]nonadeca-1(15),16,18-trienecarboxylic acid methyl ester IUPAC Name: methyl 17-methylsulfanyl-19-naphthalen-1-ylbicyclo[13.4.0]nonadeca-1(15),16,18-triene-16-carboxylate Traditional Name: 17-(methylthio)-19-(1-naphthyl)bicyclo[13.4.0]nonadeca-1(15),16,18-triene-16-carboxylic acid methyl ester Formula: C32H40O2S MolecularWeight: 488.7238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C2=C1CCCCCCCCCCCCC2)C3=CC=CC4=CC=CC=C43)SC

Isomeric SMILES

COC(=O)C1=C(C=C(C2=C1CCCCCCCCCCCCC2)C3=CC=CC4=CC=CC=C43)SC

InChI

InChI=1S/C32H40O2S/c1-34-32(33)31-28-21-13-11-9-7-5-3-4-6-8-10-12-20-27(28)29(23-30(31)35-2)26-22-16-18-24-17-14-15-19-25(24)26/h14-19,22-23H,3-13,20-21H2,1-2H3