methyl 3-[4-oxidanylidene-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[4-oxidanylidene-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]quinazolin-3-yl]propanoate Openeye Name: methyl 3-[4-oxo-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]quinazolin-3-yl]propanoate CAS Name: 3-[4-oxo-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]quinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]quinazolin-3-yl]propionic acid methyl ester Formula: C20H17N5O4S MolecularWeight: 423.44508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H17N5O4S/c1-29-17(26)10-11-24-18(27)13-6-2-4-8-15(13)21-20(24)30-12-25-19(28)14-7-3-5-9-16(14)22-23-25/h2-9H,10-12H2,1H3