tert-butyl 1-(1-methoxy-3-oxidanyl-1-oxidanylidene-pent-4-en-2-yl)-9-(phenylsulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate

Systemtic Name: tert-butyl 1-(1-methoxy-3-oxidanyl-1-oxidanylidene-pent-4-en-2-yl)-9-(phenylsulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate Openeye Name: tert-butyl 9-(benzenesulfonyl)-1-(2-hydroxy-1-methoxycarbonyl-but-3-enyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate CAS Name: 9-(benzenesulfonyl)-1-(3-hydroxy-1-methoxy-1-oxopent-4-en-2-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 9-(benzenesulfonyl)-1-(3-hydroxy-1-methoxy-1-oxopent-4-en-2-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate Traditional Name: 9-besyl-1-(1-carbomethoxy-2-hydroxy-but-3-enyl)-3,4-dihydro-1H-$b-carboline-2-carboxylic acid tert-butyl ester Formula: C28H32N2O7S MolecularWeight: 540.62788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1C(C(C=C)O)C(=O)OC)N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1C(C(C=C)O)C(=O)OC)N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H32N2O7S/c1-6-22(31)23(26(32)36-5)25-24-20(16-17-29(25)27(33)37-28(2,3)4)19-14-10-11-15-21(19)30(24)38(34,35)18-12-8-7-9-13-18/h6-15,22-23,25,31H,1,16-17H2,2-5H3