methyl 1-(1-benzothiophen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl 1-(1-benzothiophen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 1-(benzothiophen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(1-benzothiophen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(1-benzothiophen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(benzothiophen-3-yl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid methyl ester Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(C(N1)C3=CSC4=CC=CC=C43)NC5=CC=CC=C25

Isomeric SMILES

COC(=O)C1CC2=C(C(N1)C3=CSC4=CC=CC=C43)NC5=CC=CC=C25

InChI

InChI=1S/C21H18N2O2S/c1-25-21(24)17-10-14-12-6-2-4-8-16(12)22-19(14)20(23-17)15-11-26-18-9-5-3-7-13(15)18/h2-9,11,17,20,22-23H,10H2,1H3