3-(1-ethanimidoylpyrrolidin-3-yl)sulfanyl-7-oxidanylidene-6-(1-propanoyloxyethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(1-ethanimidoylpyrrolidin-3-yl)sulfanyl-7-oxidanylidene-6-(1-propanoyloxyethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(1-ethanimidoylpyrrolidin-3-yl)sulfanyl-7-oxo-6-(1-propanoyloxyethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[[1-(1-iminoethyl)-3-pyrrolidinyl]thio]-7-oxo-6-[1-(1-oxopropoxy)ethyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-ethanimidoylpyrrolidin-3-yl)sulfanyl-7-oxo-6-(1-propanoyloxyethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(1-acetimidoylpyrrolidin-3-yl)thio]-7-keto-6-(1-propionyloxyethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C17H23N3O5S2 MolecularWeight: 413.51162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C)C1C2N(C1=O)C(=C(S2)SC3CCN(C3)C(=N)C)C(=O)O

Isomeric SMILES

CCC(=O)OC(C)C1C2N(C1=O)C(=C(S2)SC3CCN(C3)C(=N)C)C(=O)O

InChI

InChI=1S/C17H23N3O5S2/c1-4-11(21)25-8(2)12-14(22)20-13(16(23)24)17(27-15(12)20)26-10-5-6-19(7-10)9(3)18/h8,10,12,15,18H,4-7H2,1-3H3,(H,23,24)