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

Systemtic Name: 3-propan-2-yloxypropylsulfanyl 5-azanylbicyclo[4.1.0]hepta-1(6),2,4-triene-4-carboxylate Openeye Name: 3-isopropoxypropylsulfanyl 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 (3-propan-2-yloxypropylthio) ester IUPAC Name: 3-propan-2-yloxypropylsulfanyl 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 (3-isopropoxypropylthio) ester Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-9(2)17-6-3-7-19-18-14(16)11-5-4-10-8-12(10)13(11)15/h4-5,9H,3,6-8,15H2,1-2H3