methyl 5-(1-benzothiophen-2-yl)pyrimido[1,6-a]indole-3-carboxylate

Systemtic Name: methyl 5-(1-benzothiophen-2-yl)pyrimido[1,6-a]indole-3-carboxylate Openeye Name: methyl 5-(benzothiophen-2-yl)pyrimido[1,6-a]indole-3-carboxylate CAS Name: 5-(1-benzothiophen-2-yl)-3-pyrimido[1,6-a]indolecarboxylic acid methyl ester IUPAC Name: methyl 5-(1-benzothiophen-2-yl)pyrimido[1,6-a]indole-3-carboxylate Traditional Name: 5-(benzothiophen-2-yl)pyrimid[1,6-a]indole-3-carboxylic acid methyl ester Formula: C21H14N2O2S MolecularWeight: 358.41306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C3=CC=CC=C3N2C=N1)C4=CC5=CC=CC=C5S4

Isomeric SMILES

COC(=O)C1=CC2=C(C3=CC=CC=C3N2C=N1)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C21H14N2O2S/c1-25-21(24)15-11-17-20(19-10-13-6-2-5-9-18(13)26-19)14-7-3-4-8-16(14)23(17)12-22-15/h2-12H,1H3