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

Systemtic Name: diethyl 2-[[3-(2-methylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanedioate Openeye Name: diethyl 2-[[3-(o-tolyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanedioate CAS Name: 2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanedioate Traditional Name: 2-[[4-keto-3-(o-tolyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]malonic acid diethyl ester Formula: C24H23N3O5S MolecularWeight: 465.52152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC2=C(C(=O)N1C3=CC=CC=C3C)NC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC2=C(C(=O)N1C3=CC=CC=C3C)NC4=CC=CC=C42

InChI

InChI=1S/C24H23N3O5S/c1-4-31-22(29)20(23(30)32-5-2)33-24-26-18-15-11-7-8-12-16(15)25-19(18)21(28)27(24)17-13-9-6-10-14(17)3/h6-13,20,25H,4-5H2,1-3H3