methyl 5-[[3-(4-methylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[3-(4-methylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-oxo-3-(p-tolyl)-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-keto-3-(p-tolyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C24H19N3O4S MolecularWeight: 445.49036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=C(O5)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=C(O5)C(=O)OC

InChI

InChI=1S/C24H19N3O4S/c1-14-7-9-15(10-8-14)27-22(28)21-20(17-5-3-4-6-18(17)25-21)26-24(27)32-13-16-11-12-19(31-16)23(29)30-2/h3-12,25H,13H2,1-2H3