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

Systemtic Name: diethyl 2-[[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanedioate Openeye Name: diethyl 2-[[3-(2-methoxy-5-methyl-phenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanedioate CAS Name: 2-[[3-(2-methoxy-5-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-(2-methoxy-5-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanedioate Traditional Name: 2-[[4-keto-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]malonic acid diethyl ester Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC2=C(C(=O)N1C3=C(C=CC(=C3)C)OC)NC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC2=C(C(=O)N1C3=C(C=CC(=C3)C)OC)NC4=CC=CC=C42

InChI

InChI=1S/C25H25N3O6S/c1-5-33-23(30)21(24(31)34-6-2)35-25-27-19-15-9-7-8-10-16(15)26-20(19)22(29)28(25)17-13-14(3)11-12-18(17)32-4/h7-13,21,26H,5-6H2,1-4H3