(4-bromophenyl)methyl 7-chloranyl-6-hexylsulfanyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylate

Systemtic Name: (4-bromophenyl)methyl 7-chloranyl-6-hexylsulfanyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylate Openeye Name: (4-bromophenyl)methyl 7-chloro-6-hexylsulfanyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylate CAS Name: 7-chloro-6-(hexylthio)-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 7-chloro-6-hexylsulfanyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylate Traditional Name: 7-chloro-6-(hexylthio)-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid (4-bromobenzyl) ester Formula: C26H29BrClNO2S MolecularWeight: 534.93596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C=C2C(=C1)C3=C(N2)CCCC3C(=O)OCC4=CC=C(C=C4)Br)Cl

Isomeric SMILES

CCCCCCSC1=C(C=C2C(=C1)C3=C(N2)CCCC3C(=O)OCC4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C26H29BrClNO2S/c1-2-3-4-5-13-32-24-14-20-23(15-21(24)28)29-22-8-6-7-19(25(20)22)26(30)31-16-17-9-11-18(27)12-10-17/h9-12,14-15,19,29H,2-8,13,16H2,1H3