methyl 3-methylsulfanyl-1-naphthalen-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxylate

Systemtic Name: methyl 3-methylsulfanyl-1-naphthalen-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxylate Openeye Name: methyl 3-methylsulfanyl-1-(1-naphthyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxylate CAS Name: 3-(methylthio)-1-(1-naphthalenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxylic acid methyl ester IUPAC Name: methyl 3-methylsulfanyl-1-naphthalen-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxylate Traditional Name: 3-(methylthio)-1-(1-naphthyl)-6,7,8,9-tetrahydro-5H-benzocycloheptene-4-carboxylic acid methyl ester Formula: C24H24O2S MolecularWeight: 376.51116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C2=C1CCCCC2)C3=CC=CC4=CC=CC=C43)SC

Isomeric SMILES

COC(=O)C1=C(C=C(C2=C1CCCCC2)C3=CC=CC4=CC=CC=C43)SC

InChI

InChI=1S/C24H24O2S/c1-26-24(25)23-20-13-5-3-4-12-19(20)21(15-22(23)27-2)18-14-8-10-16-9-6-7-11-17(16)18/h6-11,14-15H,3-5,12-13H2,1-2H3