3-(2-azanylethylsulfanyl)-6-methoxy-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(2-azanylethylsulfanyl)-6-methoxy-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-aminoethylsulfanyl)-6-methoxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(2-aminoethylthio)-6-methoxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-aminoethylsulfanyl)-6-methoxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(2-aminoethylthio)-7-keto-6-methoxy-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C9H12N2O4S2 MolecularWeight: 276.33258

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2N(C1=O)C(=C(S2)SCCN)C(=O)O

Isomeric SMILES

COC1C2N(C1=O)C(=C(S2)SCCN)C(=O)O

InChI

InChI=1S/C9H12N2O4S2/c1-15-5-6(12)11-4(8(13)14)9(16-3-2-10)17-7(5)11/h5,7H,2-3,10H2,1H3,(H,13,14)