methyl 2-(3-ethanoylsulfanyl-2-methyl-propanoyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl 2-(3-ethanoylsulfanyl-2-methyl-propanoyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 2-(3-acetylsulfanyl-2-methyl-propanoyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate CAS Name: 2-[3-(acetylthio)-2-methyl-1-oxopropyl]-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-acetylsulfanyl-2-methylpropanoyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Traditional Name: 2-[3-(acetylthio)-2-methyl-propanoyl]-1-phenyl-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid methyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1C(CC2=C(C1C3=CC=CC=C3)NC4=CC=CC=C24)C(=O)OC

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1C(CC2=C(C1C3=CC=CC=C3)NC4=CC=CC=C24)C(=O)OC

InChI

InChI=1S/C25H26N2O4S/c1-15(14-32-16(2)28)24(29)27-21(25(30)31-3)13-19-18-11-7-8-12-20(18)26-22(19)23(27)17-9-5-4-6-10-17/h4-12,15,21,23,26H,13-14H2,1-3H3