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

Systemtic Name: (phenylmethyl) 7-chloranyl-6-hexylsulfanyl-9-(4-phenoxyphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate Openeye Name: benzyl 7-chloro-6-hexylsulfanyl-9-(4-phenoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate CAS Name: 7-chloro-6-(hexylthio)-9-[oxo-(4-phenoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-chloro-6-hexylsulfanyl-9-(4-phenoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Traditional Name: 7-chloro-6-(hexylthio)-9-(4-phenoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid benzyl ester Formula: C39H38ClNO4S MolecularWeight: 652.24132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H38ClNO4S/c1-2-3-4-11-22-46-37-24-33-32-23-29(39(43)44-26-27-12-7-5-8-13-27)18-21-35(32)41(36(33)25-34(37)40)38(42)28-16-19-31(20-17-28)45-30-14-9-6-10-15-30/h5-10,12-17,19-20,24-25,29H,2-4,11,18,21-23,26H2,1H3