(phenylmethyl) 6-propan-2-ylsulfanyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate

Systemtic Name: (phenylmethyl) 6-propan-2-ylsulfanyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate Openeye Name: benzyl 6-isopropylsulfanyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate CAS Name: 6-(propan-2-ylthio)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-propan-2-ylsulfanyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate Traditional Name: 6-(isopropylthio)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid benzyl ester Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC2=C(C=C1)NC3=C2CC(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)SC1=CC2=C(C=C1)NC3=C2CC(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H25NO2S/c1-15(2)27-18-9-11-22-20(13-18)19-12-17(8-10-21(19)24-22)23(25)26-14-16-6-4-3-5-7-16/h3-7,9,11,13,15,17,24H,8,10,12,14H2,1-2H3