tert-butyl 2-[(E)-6-ethoxy-6-oxidanylidene-hex-4-enoyl]-1-phenylsulfanyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylate

Systemtic Name: tert-butyl 2-[(E)-6-ethoxy-6-oxidanylidene-hex-4-enoyl]-1-phenylsulfanyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylate Openeye Name: tert-butyl 2-[(E)-6-ethoxy-6-oxo-hex-4-enoyl]-1-phenylsulfanyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylate CAS Name: 2-[(E)-6-ethoxy-1,6-dioxohex-4-enyl]-1-(phenylthio)-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-6-ethoxy-6-oxohex-4-enoyl]-1-phenylsulfanyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylate Traditional Name: 2-[(E)-6-ethoxy-6-keto-hex-4-enoyl]-1-(phenylthio)-3,4-dihydro-1H-$b-carboline-9-carboxylic acid tert-butyl ester Formula: C30H34N2O5S MolecularWeight: 534.66636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCCC(=O)N1CCC2=C(C1SC3=CC=CC=C3)N(C4=CC=CC=C24)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)/C=C/CCC(=O)N1CCC2=C(C1SC3=CC=CC=C3)N(C4=CC=CC=C24)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H34N2O5S/c1-5-36-26(34)18-12-11-17-25(33)31-20-19-23-22-15-9-10-16-24(22)32(29(35)37-30(2,3)4)27(23)28(31)38-21-13-7-6-8-14-21/h6-10,12-16,18,28H,5,11,17,19-20H2,1-4H3/b18-12+