methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2,9-dihydro-1H-benzo[7]annulene-3-carboxylate

Systemtic Name: methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2,9-dihydro-1H-benzo[7]annulene-3-carboxylate Openeye Name: methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2,9-dihydro-1H-benzo[7]annulene-3-carboxylate CAS Name: 4-[(4-methoxyphenyl)methylthio]-2,9-dihydro-1H-benzo[7]annulene-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2,9-dihydro-1H-benzo[7]annulene-3-carboxylate Traditional Name: 4-(p-anisylthio)-2,9-dihydro-1H-benzocycloheptene-3-carboxylic acid methyl ester Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=C(CCC3=C2C=CC=CC3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=C(CCC3=C2C=CC=CC3)C(=O)OC

InChI

InChI=1S/C21H22O3S/c1-23-17-11-8-15(9-12-17)14-25-20-18-7-5-3-4-6-16(18)10-13-19(20)21(22)24-2/h3-5,7-9,11-12H,6,10,13-14H2,1-2H3