tert-butyl (3S)-2-[(3-bromanylthiophen-2-yl)methyl]-4-oxidanylidene-3-propan-2-yl-1,3-dihydropyrido[3,4-b]indole-9-carboxylate

Systemtic Name: tert-butyl (3S)-2-[(3-bromanylthiophen-2-yl)methyl]-4-oxidanylidene-3-propan-2-yl-1,3-dihydropyrido[3,4-b]indole-9-carboxylate Openeye Name: tert-butyl (3S)-2-[(3-bromo-2-thienyl)methyl]-3-isopropyl-4-oxo-1,3-dihydropyrido[3,4-b]indole-9-carboxylate CAS Name: (3S)-2-[(3-bromo-2-thiophenyl)methyl]-4-oxo-3-propan-2-yl-1,3-dihydropyrido[3,4-b]indole-9-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-2-[(3-bromothiophen-2-yl)methyl]-4-oxo-3-propan-2-yl-1,3-dihydropyrido[3,4-b]indole-9-carboxylate Traditional Name: (3S)-2-[(3-bromo-2-thienyl)methyl]-3-isopropyl-4-keto-1,3-dihydro-$b-carboline-9-carboxylic acid tert-butyl ester Formula: C24H27BrN2O3S MolecularWeight: 503.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)C2=C(CN1CC3=C(C=CS3)Br)N(C4=CC=CC=C42)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@H]1C(=O)C2=C(CN1CC3=C(C=CS3)Br)N(C4=CC=CC=C42)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H27BrN2O3S/c1-14(2)21-22(28)20-15-8-6-7-9-17(15)27(23(29)30-24(3,4)5)18(20)12-26(21)13-19-16(25)10-11-31-19/h6-11,14,21H,12-13H2,1-5H3/t21-/m0/s1