4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 4-oxo-3-pentyl-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-amyl-4-keto-2-thioxo-1H-quinazoline-7-carboxylate Formula: C14H15N2O3S- MolecularWeight: 291.3455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)[O-])NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)[O-])NC1=S

InChI

InChI=1S/C14H16N2O3S/c1-2-3-4-7-16-12(17)10-6-5-9(13(18)19)8-11(10)15-14(16)20/h5-6,8H,2-4,7H2,1H3,(H,15,20)(H,18,19)/p-1