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

Systemtic Name: 3-(1-butanoylpyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(1-butanoylpyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-[[1-(1-oxobutyl)-3-pyrrolidinyl]thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-butanoylpyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(1-butyrylpyrrolidin-3-yl)thio]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC(C1)SC2=C(N3C(S2)C(C3=O)C(C)O)C(=O)O

Isomeric SMILES

CCCC(=O)N1CCC(C1)SC2=C(N3C(S2)C(C3=O)C(C)O)C(=O)O

InChI

InChI=1S/C16H22N2O5S2/c1-3-4-10(20)17-6-5-9(7-17)24-16-12(15(22)23)18-13(21)11(8(2)19)14(18)25-16/h8-9,11,14,19H,3-7H2,1-2H3,(H,22,23)