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

Systemtic Name: methyl 5-[[3-(3-methoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-keto-3-(3-methoxyphenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C24H19N3O5S MolecularWeight: 461.48976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=C(O5)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=C(O5)C(=O)OC

InChI

InChI=1S/C24H19N3O5S/c1-30-15-7-5-6-14(12-15)27-22(28)21-20(17-8-3-4-9-18(17)25-21)26-24(27)33-13-16-10-11-19(32-16)23(29)31-2/h3-12,25H,13H2,1-2H3