ethyl 2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-3-sulfanyl-propanoate

Systemtic Name: ethyl 2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-3-sulfanyl-propanoate Openeye Name: ethyl 2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-sulfanylpropanoate Traditional Name: 2-(4-keto-2-thioxo-1H-quinazolin-3-yl)-3-mercapto-propionic acid ethyl ester Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)N1C(=O)C2=CC=CC=C2NC1=S

Isomeric SMILES

CCOC(=O)C(CS)N1C(=O)C2=CC=CC=C2NC1=S

InChI

InChI=1S/C13H14N2O3S2/c1-2-18-12(17)10(7-19)15-11(16)8-5-3-4-6-9(8)14-13(15)20/h3-6,10,19H,2,7H2,1H3,(H,14,20)