prop-2-enyl (5R)-3-ethylsulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: prop-2-enyl (5R)-3-ethylsulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: allyl (5R)-3-ethylsulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (5R)-3-(ethylthio)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (5R)-3-ethylsulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (5R)-3-(ethylthio)-6-[(1R)-1-hydroxyethyl]-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid allyl ester Formula: C13H17NO4S2 MolecularWeight: 315.40838

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N2C(S1)C(C2=O)C(C)O)C(=O)OCC=C

Isomeric SMILES

CCSC1=C(N2[C@H](S1)C(C2=O)[C@@H](C)O)C(=O)OCC=C

InChI

InChI=1S/C13H17NO4S2/c1-4-6-18-12(17)9-13(19-5-2)20-11-8(7(3)15)10(16)14(9)11/h4,7-8,11,15H,1,5-6H2,2-3H3/t7-,8?,11-/m1/s1