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

Systemtic Name: 6-(1-acetyloxyethyl)-3-(1-ethanimidoylpyrrolidin-3-yl)sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-acetoxyethyl)-3-(1-ethanimidoylpyrrolidin-3-yl)sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-acetyloxyethyl)-3-[[1-(1-iminoethyl)-3-pyrrolidinyl]thio]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-acetyloxyethyl)-3-(1-ethanimidoylpyrrolidin-3-yl)sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(1-acetimidoylpyrrolidin-3-yl)thio]-6-(1-acetoxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H21N3O5S2 MolecularWeight: 399.48504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S2/c1-7(24-9(3)20)11-13(21)19-12(15(22)23)16(26-14(11)19)25-10-4-5-18(6-10)8(2)17/h7,10-11,14,17H,4-6H2,1-3H3,(H,22,23)