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

Systemtic Name: diethyl 2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanedioate Openeye Name: diethyl 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanedioate CAS Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanedioate Traditional Name: 2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]malonic acid diethyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SC(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SC(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C19H21N3O5S/c1-4-22-16(23)14-13(11-9-7-8-10-12(11)20-14)21-19(22)28-15(17(24)26-5-2)18(25)27-6-3/h7-10,15,20H,4-6H2,1-3H3