(4-bromophenyl)methyl 7-chloranyl-6-hexylsulfanyl-9-(4-phenoxyphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate

Systemtic Name: (4-bromophenyl)methyl 7-chloranyl-6-hexylsulfanyl-9-(4-phenoxyphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate Openeye Name: (4-bromophenyl)methyl 7-chloro-6-hexylsulfanyl-9-(4-phenoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate CAS Name: 7-chloro-6-(hexylthio)-9-[oxo-(4-phenoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 7-chloro-6-hexylsulfanyl-9-(4-phenoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylate Traditional Name: 7-chloro-6-(hexylthio)-9-(4-phenoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid (4-bromobenzyl) ester Formula: C39H37BrClNO4S MolecularWeight: 731.13738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C=C2C(=C1)C3=C(N2C(=O)C4=CC=C(C=C4)OC5=CC=CC=C5)CCCC3C(=O)OCC6=CC=C(C=C6)Br)Cl

Isomeric SMILES

CCCCCCSC1=C(C=C2C(=C1)C3=C(N2C(=O)C4=CC=C(C=C4)OC5=CC=CC=C5)CCCC3C(=O)OCC6=CC=C(C=C6)Br)Cl

InChI

InChI=1S/C39H37BrClNO4S/c1-2-3-4-8-22-47-36-23-32-35(24-33(36)41)42(38(43)27-16-20-30(21-17-27)46-29-10-6-5-7-11-29)34-13-9-12-31(37(32)34)39(44)45-25-26-14-18-28(40)19-15-26/h5-7,10-11,14-21,23-24,31H,2-4,8-9,12-13,22,25H2,1H3