3-(2-ethoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 3-(2-ethoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 3-(2-ethoxy-2-oxo-ethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylic acid CAS Name: 3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid IUPAC Name: 3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2=C(C=C(C=C2)C(=O)O)NC1=S

Isomeric SMILES

CCOC(=O)CN1C(=O)C2=C(C=C(C=C2)C(=O)O)NC1=S

InChI

InChI=1S/C13H12N2O5S/c1-2-20-10(16)6-15-11(17)8-4-3-7(12(18)19)5-9(8)14-13(15)21/h3-5H,2,6H2,1H3,(H,14,21)(H,18,19)