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

Systemtic Name: methyl 2-(2-methyl-3-sulfanyl-propanoyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 2-(2-methyl-3-sulfanyl-propanoyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate CAS Name: 2-(3-mercapto-2-methyl-1-oxopropyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-methyl-3-sulfanylpropanoyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Traditional Name: 2-(3-mercapto-2-methyl-propanoyl)-1-phenyl-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid methyl ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3S/c1-14(13-29)22(26)25-19(23(27)28-2)12-17-16-10-6-7-11-18(16)24-20(17)21(25)15-8-4-3-5-9-15/h3-11,14,19,21,24,29H,12-13H2,1-2H3