4-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanoate

Systemtic Name: 4-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanoate Openeye Name: 4-(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)butanoate CAS Name: 4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoate IUPAC Name: 4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoate Traditional Name: 4-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)butyrate Formula: C16H19N2O5S- MolecularWeight: 351.39746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)[O-])OCC

InChI

InChI=1S/C16H20N2O5S/c1-3-22-12-8-10-11(9-13(12)23-4-2)17-16(24)18(15(10)21)7-5-6-14(19)20/h8-9H,3-7H2,1-2H3,(H,17,24)(H,19,20)/p-1