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

Systemtic Name: ethyl 2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-2-methyl-propanoate Openeye Name: ethyl 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-2-methyl-propanoate CAS Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-2-methylpropanoate Traditional Name: 2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]-2-methyl-propionic acid ethyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-5-21-15(22)14-13(11-9-7-8-10-12(11)19-14)20-17(21)25-18(3,4)16(23)24-6-2/h7-10,19H,5-6H2,1-4H3