3-ethanoyl-2-(2-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3,3a,4,9-tetrahydro-1H-benzo[f]isoindole-9a-carboxylate

Systemtic Name: 3-ethanoyl-2-(2-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3,3a,4,9-tetrahydro-1H-benzo[f]isoindole-9a-carboxylate Openeye Name: 3-acetyl-2-(2-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3,3a,4,9-tetrahydro-1H-benzo[f]isoindole-9a-carboxylate CAS Name: 3-acetyl-2-(2-methoxyphenyl)-4-[4-(methylthio)phenyl]-3,3a,4,9-tetrahydro-1H-benzo[f]isoindole-9a-carboxylate IUPAC Name: 3-acetyl-2-(2-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3,3a,4,9-tetrahydro-1H-benzo[f]isoindole-9a-carboxylate Traditional Name: 3-acetyl-2-(2-methoxyphenyl)-4-[4-(methylthio)phenyl]-3,3a,4,9-tetrahydro-1H-benz[f]isoindole-9a-carboxylate Formula: C29H28NO4S- MolecularWeight: 486.60192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C2C(C3=CC=CC=C3CC2(CN1C4=CC=CC=C4OC)C(=O)[O-])C5=CC=C(C=C5)SC

Isomeric SMILES

CC(=O)C1C2C(C3=CC=CC=C3CC2(CN1C4=CC=CC=C4OC)C(=O)[O-])C5=CC=C(C=C5)SC

InChI

InChI=1S/C29H29NO4S/c1-18(31)27-26-25(19-12-14-21(35-3)15-13-19)22-9-5-4-8-20(22)16-29(26,28(32)33)17-30(27)23-10-6-7-11-24(23)34-2/h4-15,25-27H,16-17H2,1-3H3,(H,32,33)/p-1