tert-butyl 1-(2-ethoxy-2-oxidanylidene-ethyl)-6-methoxy-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)-6-methoxy-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)-6-methoxy-2-(p-tolylsulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylate CAS Name: 1-(2-ethoxy-2-oxoethyl)-6-methoxy-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)-6-methoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylate Traditional Name: 1-(2-ethoxy-2-keto-ethyl)-6-methoxy-2-tosyl-3,4-dihydro-1H-$b-carboline-9-carboxylic acid tert-butyl ester Formula: C28H34N2O7S MolecularWeight: 542.64376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C2=C(CCN1S(=O)(=O)C3=CC=C(C=C3)C)C4=C(N2C(=O)OC(C)(C)C)C=CC(=C4)OC

Isomeric SMILES

CCOC(=O)CC1C2=C(CCN1S(=O)(=O)C3=CC=C(C=C3)C)C4=C(N2C(=O)OC(C)(C)C)C=CC(=C4)OC

InChI

InChI=1S/C28H34N2O7S/c1-7-36-25(31)17-24-26-21(14-15-29(24)38(33,34)20-11-8-18(2)9-12-20)22-16-19(35-6)10-13-23(22)30(26)27(32)37-28(3,4)5/h8-13,16,24H,7,14-15,17H2,1-6H3