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

Systemtic Name: methyl 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoate Openeye Name: methyl 6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoate CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoic acid methyl ester IUPAC Name: methyl 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoate Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoic acid methyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S

Isomeric SMILES

COC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S

InChI

InChI=1S/C15H18N2O3S/c1-20-13(18)9-3-2-6-10-17-14(19)11-7-4-5-8-12(11)16-15(17)21/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,16,21)