3-(7-chloranyl-4-oxidanidyl-2-sulfanylidene-quinazolin-3-yl)propanoate

Systemtic Name: 3-(7-chloranyl-4-oxidanidyl-2-sulfanylidene-quinazolin-3-yl)propanoate Openeye Name: 3-(7-chloro-4-oxido-2-thioxo-quinazolin-3-yl)propanoate CAS Name: 3-(7-chloro-4-oxido-2-sulfanylidene-3-quinazolinyl)propanoate IUPAC Name: 3-(7-chloro-4-oxido-2-sulfanylidenequinazolin-3-yl)propanoate Traditional Name: 3-(7-chloro-4-oxido-2-thioxo-quinazolin-3-yl)propionate Formula: C11H7ClN2O3S-2 MolecularWeight: 282.70288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N(C(=S)N=C2C=C1Cl)CCC(=O)[O-])[O-]

Isomeric SMILES

C1=CC2=C(N(C(=S)N=C2C=C1Cl)CCC(=O)[O-])[O-]

InChI

InChI=1S/C11H9ClN2O3S/c12-6-1-2-7-8(5-6)13-11(18)14(10(7)17)4-3-9(15)16/h1-2,5,17H,3-4H2,(H,15,16)/p-2