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

Systemtic Name: diethyl 2-[[3-(2-methoxyethyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanedioate Openeye Name: diethyl 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanedioate CAS Name: 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanedioate Traditional Name: 2-[[4-keto-3-(2-methoxyethyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]malonic acid diethyl ester Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC2=C(C(=O)N1CCOC)NC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC2=C(C(=O)N1CCOC)NC3=CC=CC=C32

InChI

InChI=1S/C20H23N3O6S/c1-4-28-18(25)16(19(26)29-5-2)30-20-22-14-12-8-6-7-9-13(12)21-15(14)17(24)23(20)10-11-27-3/h6-9,16,21H,4-5,10-11H2,1-3H3