methyl 4-(4-bromophenyl)-1-chloranyl-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-1-chloranyl-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-1-chloro-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylate CAS Name: 4-(4-bromophenyl)-1-chloro-2-[(2-nitrophenyl)thio]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-1-chloro-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylate Traditional Name: 4-(4-bromophenyl)-1-chloro-2-[(2-nitrophenyl)thio]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid methyl ester Formula: C26H22BrClN2O4S MolecularWeight: 573.88588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC(C3C2C(C(C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C5=CC=C(C=C5)Br

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC(C3C2C(C(C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C5=CC=C(C=C5)Br

InChI

InChI=1S/C26H22BrClN2O4S/c1-34-26(31)15-8-11-19-17(12-15)23-18(25(29-19)14-6-9-16(27)10-7-14)13-22(24(23)28)35-21-5-3-2-4-20(21)30(32)33/h2-12,18,22-25,29H,13H2,1H3