tert-butyl 8-methylsulfanyl-2-(phenylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-carboxylate

Systemtic Name: tert-butyl 8-methylsulfanyl-2-(phenylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-carboxylate Openeye Name: tert-butyl 2-benzyl-8-methylsulfanyl-3,4-dihydro-1H-pyrido[4,3-b]indole-5-carboxylate CAS Name: 8-(methylthio)-2-(phenylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-benzyl-8-methylsulfanyl-3,4-dihydro-1H-pyrido[4,3-b]indole-5-carboxylate Traditional Name: 2-benzyl-8-(methylthio)-3,4-dihydro-1H-pyrid[4,3-b]indole-5-carboxylic acid tert-butyl ester Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(CN(CC2)CC3=CC=CC=C3)C4=C1C=CC(=C4)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(CN(CC2)CC3=CC=CC=C3)C4=C1C=CC(=C4)SC

InChI

InChI=1S/C24H28N2O2S/c1-24(2,3)28-23(27)26-21-11-10-18(29-4)14-19(21)20-16-25(13-12-22(20)26)15-17-8-6-5-7-9-17/h5-11,14H,12-13,15-16H2,1-4H3