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

Systemtic Name: ethyl 2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-3-oxo-butanoate CAS Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 2-[(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=C1SC(C(=O)C)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-4-21-16(23)14-13(11-8-6-7-9-12(11)19-14)20-18(21)26-15(10(3)22)17(24)25-5-2/h6-9,15,19H,4-5H2,1-3H3