3-[(6-methoxy-2-methyl-4-oxidanylidene-quinazolin-3-yl)methylsulfanyl]propanoate

Systemtic Name: 3-[(6-methoxy-2-methyl-4-oxidanylidene-quinazolin-3-yl)methylsulfanyl]propanoate Openeye Name: 3-[(6-methoxy-2-methyl-4-oxo-quinazolin-3-yl)methylsulfanyl]propanoate CAS Name: 3-[(6-methoxy-2-methyl-4-oxo-3-quinazolinyl)methylthio]propanoate IUPAC Name: 3-[(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]propanoate Traditional Name: 3-[(4-keto-6-methoxy-2-methyl-quinazolin-3-yl)methylthio]propionate Formula: C14H15N2O4S- MolecularWeight: 307.3449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC)C(=O)N1CSCCC(=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OC)C(=O)N1CSCCC(=O)[O-]

InChI

InChI=1S/C14H16N2O4S/c1-9-15-12-4-3-10(20-2)7-11(12)14(19)16(9)8-21-6-5-13(17)18/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)/p-1