methyl 3-[4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[4-oxo-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-quinazolin-3-yl]propanoate CAS Name: 3-[4-oxo-2-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[[2-keto-2-(propargylamino)ethyl]thio]quinazolin-3-yl]propionic acid methyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC#C

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC#C

InChI

InChI=1S/C17H17N3O4S/c1-3-9-18-14(21)11-25-17-19-13-7-5-4-6-12(13)16(23)20(17)10-8-15(22)24-2/h1,4-7H,8-11H2,2H3,(H,18,21)