diethyl 2-[[3-(2-methoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanedioate

Systemtic Name: diethyl 2-[[3-(2-methoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanedioate Openeye Name: diethyl 2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanedioate CAS Name: 2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanedioate Traditional Name: 2-[[4-keto-3-(2-methoxyphenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]malonic acid diethyl ester Formula: C24H23N3O6S MolecularWeight: 481.52092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)NC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)NC4=CC=CC=C42

InChI

InChI=1S/C24H23N3O6S/c1-4-32-22(29)20(23(30)33-5-2)34-24-26-18-14-10-6-7-11-15(14)25-19(18)21(28)27(24)16-12-8-9-13-17(16)31-3/h6-13,20,25H,4-5H2,1-3H3