tert-butyl 1-(2-ethoxy-2-oxidanylidene-ethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylate

Systemtic Name: tert-butyl 1-(2-ethoxy-2-oxidanylidene-ethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylate Openeye Name: tert-butyl 1-(2-ethoxy-2-oxo-ethyl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylate CAS Name: 1-(2-ethoxy-2-oxoethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-ethoxy-2-oxoethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylate Traditional Name: 1-(2-ethoxy-2-keto-ethyl)-2-tosyl-3,4-dihydro-1H-$b-carboline-9-carboxylic acid tert-butyl ester Formula: C27H32N2O6S MolecularWeight: 512.61778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C2=C(CCN1S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4N2C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CC1C2=C(CCN1S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4N2C(=O)OC(C)(C)C

InChI

InChI=1S/C27H32N2O6S/c1-6-34-24(30)17-23-25-21(15-16-28(23)36(32,33)19-13-11-18(2)12-14-19)20-9-7-8-10-22(20)29(25)26(31)35-27(3,4)5/h7-14,23H,6,15-17H2,1-5H3