3-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-4-yl}propanoic acid

Formula: C13H14N2O3S

SMILES: OC(=O)CCN1C=NC2=C(C3=C(CCCC3)S2)C1=O

IUPAC: 3-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-4-yl}propanoic acid

InChI: InChI=1S/C13H14N2O3S/c16-10(17)5-6-15-7-14-12-11(13(15)18)8-3-1-2-4-9(8)19-12/h7H,1-6H2,(H,16,17)

Composition: C (56.10%), H (5.07%), N (10.07%), O (17.24%), S (11.52%)

Molar Mass: 278.33

Atom Count: 33

Heavy Atom Count: 19