(phenylmethyl) 9-[4-(2-phenylpropyl)phenyl]carbonyl-6-propan-2-ylsulfanyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate

Systemtic Name: (phenylmethyl) 9-[4-(2-phenylpropyl)phenyl]carbonyl-6-propan-2-ylsulfanyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate Openeye Name: benzyl 6-isopropylsulfanyl-9-[4-(2-phenylpropyl)benzoyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylate CAS Name: 9-[oxo-[4-(2-phenylpropyl)phenyl]methyl]-6-(propan-2-ylthio)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 9-[4-(2-phenylpropyl)benzoyl]-6-propan-2-ylsulfanyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate Traditional Name: 6-(isopropylthio)-9-[4-(2-phenylpropyl)benzoyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid benzyl ester Formula: C39H39NO3S MolecularWeight: 601.79686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC2=C(C=C1)N(C3=C2CC(CC3)C(=O)OCC4=CC=CC=C4)C(=O)C5=CC=C(C=C5)CC(C)C6=CC=CC=C6

Isomeric SMILES

CC(C)SC1=CC2=C(C=C1)N(C3=C2CC(CC3)C(=O)OCC4=CC=CC=C4)C(=O)C5=CC=C(C=C5)CC(C)C6=CC=CC=C6

InChI

InChI=1S/C39H39NO3S/c1-26(2)44-33-19-21-37-35(24-33)34-23-32(39(42)43-25-29-10-6-4-7-11-29)18-20-36(34)40(37)38(41)31-16-14-28(15-17-31)22-27(3)30-12-8-5-9-13-30/h4-17,19,21,24,26-27,32H,18,20,22-23,25H2,1-3H3