methyl 3-[4-oxidanylidene-2-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[4-oxidanylidene-2-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[4-oxo-2-[2-oxo-2-(2-thienylmethylamino)ethyl]sulfanyl-quinazolin-3-yl]propanoate CAS Name: 3-[4-oxo-2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thio]-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[[2-keto-2-(2-thenylamino)ethyl]thio]quinazolin-3-yl]propionic acid methyl ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=CS3

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C19H19N3O4S2/c1-26-17(24)8-9-22-18(25)14-6-2-3-7-15(14)21-19(22)28-12-16(23)20-11-13-5-4-10-27-13/h2-7,10H,8-9,11-12H2,1H3,(H,20,23)