3-(4-hydroxyphenyl)-2-(7-methoxycarbonyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-(7-methoxycarbonyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-(7-methoxycarbonyl-4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-(7-methoxycarbonyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-(7-methoxycarbonyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoic acid Traditional Name: 2-(7-carbomethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)-3-(4-hydroxyphenyl)propionic acid Formula: C19H16N2O6S MolecularWeight: 400.40514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C(CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C(CC3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C19H16N2O6S/c1-27-18(26)11-4-7-13-14(9-11)20-19(28)21(16(13)23)15(17(24)25)8-10-2-5-12(22)6-3-10/h2-7,9,15,22H,8H2,1H3,(H,20,28)(H,24,25)