4-[(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoic acid

Systemtic Name: 4-[(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoic acid Openeye Name: 4-[(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzoic acid CAS Name: 4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoic acid IUPAC Name: 4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoic acid Traditional Name: 4-[(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]benzoic acid Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)O)OCC

InChI

InChI=1S/C20H20N2O5S/c1-3-26-16-9-14-15(10-17(16)27-4-2)21-20(28)22(18(14)23)11-12-5-7-13(8-6-12)19(24)25/h5-10H,3-4,11H2,1-2H3,(H,21,28)(H,24,25)