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

Systemtic Name: ethyl 4-[[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-(2-methoxy-5-methyl-phenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[3-(2-methoxy-5-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-methoxy-5-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-3-oxobutanoate Traditional Name: 3-keto-4-[[4-keto-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]butyric acid ethyl ester Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=C(C(=O)N1C3=C(C=CC(=C3)C)OC)NC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=C(C(=O)N1C3=C(C=CC(=C3)C)OC)NC4=CC=CC=C42

InChI

InChI=1S/C24H23N3O5S/c1-4-32-20(29)12-15(28)13-33-24-26-21-16-7-5-6-8-17(16)25-22(21)23(30)27(24)18-11-14(2)9-10-19(18)31-3/h5-11,25H,4,12-13H2,1-3H3