tert-butyl 6-methoxy-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 6-methoxy-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)-6-methoxy-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)-6-methoxy-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)-6-methoxy-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate Traditional Name: 9-besyl-1-(1-carbomethoxy-2-hydroxy-but-3-enyl)-6-methoxy-3,4-dihydro-1H-$b-carboline-2-carboxylic acid tert-butyl ester Formula: C29H34N2O8S MolecularWeight: 570.65386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1C(C(C=C)O)C(=O)OC)N(C3=C2C=C(C=C3)OC)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=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H34N2O8S/c1-7-23(32)24(27(33)38-6)26-25-20(15-16-30(26)28(34)39-29(2,3)4)21-17-18(37-5)13-14-22(21)31(25)40(35,36)19-11-9-8-10-12-19/h7-14,17,23-24,26,32H,1,15-16H2,2-6H3