methyl 4-(4-methylsulfanylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate

Systemtic Name: methyl 4-(4-methylsulfanylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate Openeye Name: methyl 4-(4-methylsulfanylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate CAS Name: 4-[4-(methylthio)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylsulfanylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate Traditional Name: 4-[4-(methylthio)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid methyl ester Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C4=CC=C(C=C4)SC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C21H21NO2S/c1-24-21(23)14-8-11-19-18(12-14)16-4-3-5-17(16)20(22-19)13-6-9-15(25-2)10-7-13/h3-4,6-12,16-17,20,22H,5H2,1-2H3