methyl 5-(propanoylamino)-7-thia-8-azabicyclo[4.2.0]octa-1,3,5-triene-8-carboxylate

Systemtic Name: methyl 5-(propanoylamino)-7-thia-8-azabicyclo[4.2.0]octa-1,3,5-triene-8-carboxylate Openeye Name: methyl 5-(propanoylamino)-7-thia-8-azabicyclo[4.2.0]octa-1,3,5-triene-8-carboxylate CAS Name: 5-(1-oxopropylamino)-7-thia-8-azabicyclo[4.2.0]octa-1,3,5-triene-8-carboxylic acid methyl ester IUPAC Name: methyl 5-(propanoylamino)-7-thia-8-azabicyclo[4.2.0]octa-1,3,5-triene-8-carboxylate Traditional Name: 5-propionamido-7-thia-8-azabicyclo[4.2.0]octa-1,3,5-triene-8-carboxylic acid methyl ester Formula: C11H12N2O3S MolecularWeight: 252.28958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC2=C1SN2C(=O)OC

Isomeric SMILES

CCC(=O)NC1=CC=CC2=C1SN2C(=O)OC

InChI

InChI=1S/C11H12N2O3S/c1-3-9(14)12-7-5-4-6-8-10(7)17-13(8)11(15)16-2/h4-6H,3H2,1-2H3,(H,12,14)