6-(7-methoxycarbonyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoate

Systemtic Name: 6-(7-methoxycarbonyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoate Openeye Name: 6-(7-methoxycarbonyl-4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoate CAS Name: 6-(7-methoxycarbonyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoate IUPAC Name: 6-(7-methoxycarbonyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoate Traditional Name: 6-(7-carbomethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoate Formula: C16H17N2O5S- MolecularWeight: 349.38158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCCCC(=O)[O-]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCCCC(=O)[O-]

InChI

InChI=1S/C16H18N2O5S/c1-23-15(22)10-6-7-11-12(9-10)17-16(24)18(14(11)21)8-4-2-3-5-13(19)20/h6-7,9H,2-5,8H2,1H3,(H,17,24)(H,19,20)/p-1