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

Systemtic Name: ethyl 4-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]-3-keto-butyric acid ethyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)CC(=O)OCC

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)CC(=O)OCC

InChI

InChI=1S/C18H19N3O4S/c1-3-21-17(24)16-15(12-7-5-6-8-13(12)19-16)20-18(21)26-10-11(22)9-14(23)25-4-2/h5-8,19H,3-4,9-10H2,1-2H3