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

Systemtic Name: ethyl 2-[(3-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoate Openeye Name: ethyl 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoate CAS Name: 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoate Traditional Name: 2-[(4-keto-3-methyl-5H-pyrimid[5,4-b]indol-2-yl)thio]propionic acid ethyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC2=C(C(=O)N1C)NC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C(C)SC1=NC2=C(C(=O)N1C)NC3=CC=CC=C32

InChI

InChI=1S/C16H17N3O3S/c1-4-22-15(21)9(2)23-16-18-12-10-7-5-6-8-11(10)17-13(12)14(20)19(16)3/h5-9,17H,4H2,1-3H3