propylsulfanyl 5-azanylbicyclo[4.1.0]hepta-1(6),2,4-triene-4-carboxylate

Systemtic Name: propylsulfanyl 5-azanylbicyclo[4.1.0]hepta-1(6),2,4-triene-4-carboxylate Openeye Name: propylsulfanyl 5-aminobicyclo[4.1.0]hepta-1(6),2,4-triene-4-carboxylate CAS Name: 5-amino-4-bicyclo[4.1.0]hepta-1(6),2,4-trienecarboxylic acid (propylthio) ester IUPAC Name: propylsulfanyl 5-aminobicyclo[4.1.0]hepta-1(6),2,4-triene-4-carboxylate Traditional Name: 5-aminobicyclo[4.1.0]hepta-1(6),2,4-triene-4-carboxylic acid (propylthio) ester Formula: C11H13NO2S MolecularWeight: 223.29142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSOC(=O)C1=C(C2=C(C2)C=C1)N

Isomeric SMILES

CCCSOC(=O)C1=C(C2=C(C2)C=C1)N

InChI

InChI=1S/C11H13NO2S/c1-2-5-15-14-11(13)8-4-3-7-6-9(7)10(8)12/h3-4H,2,5-6,12H2,1H3