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

Systemtic Name: propan-2-yloxymethylsulfanyl 5-azanylbicyclo[4.1.0]hepta-1(6),2,4-triene-4-carboxylate Openeye Name: isopropoxymethylsulfanyl 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 (propan-2-yloxymethylthio) ester IUPAC Name: propan-2-yloxymethylsulfanyl 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 (isopropoxymethylthio) ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCSOC(=O)C1=C(C2=C(C2)C=C1)N

Isomeric SMILES

CC(C)OCSOC(=O)C1=C(C2=C(C2)C=C1)N

InChI

InChI=1S/C12H15NO3S/c1-7(2)15-6-17-16-12(14)9-4-3-8-5-10(8)11(9)13/h3-4,7H,5-6,13H2,1-2H3