3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-piperonyl-2-thioxo-1H-quinazoline-7-carboxylate Formula: C17H11N2O5S- MolecularWeight: 355.34464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)[O-])NC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)[O-])NC3=S

InChI

InChI=1S/C17H12N2O5S/c20-15-11-3-2-10(16(21)22)6-12(11)18-17(25)19(15)7-9-1-4-13-14(5-9)24-8-23-13/h1-6H,7-8H2,(H,18,25)(H,21,22)/p-1