methyl 5-(4-methylsulfanylphenyl)pyrimido[1,6-a]indole-3-carboxylate

Systemtic Name: methyl 5-(4-methylsulfanylphenyl)pyrimido[1,6-a]indole-3-carboxylate Openeye Name: methyl 5-(4-methylsulfanylphenyl)pyrimido[1,6-a]indole-3-carboxylate CAS Name: 5-[4-(methylthio)phenyl]-3-pyrimido[1,6-a]indolecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-methylsulfanylphenyl)pyrimido[1,6-a]indole-3-carboxylate Traditional Name: 5-[4-(methylthio)phenyl]pyrimid[1,6-a]indole-3-carboxylic acid methyl ester Formula: C20H16N2O2S MolecularWeight: 348.41824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O2S/c1-24-20(23)16-11-18-19(13-7-9-14(25-2)10-8-13)15-5-3-4-6-17(15)22(18)12-21-16/h3-12H,1-2H3