3-(2-azanylethoxymethylsulfanyl)-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(2-azanylethoxymethylsulfanyl)-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-aminoethoxymethylsulfanyl)-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(2-aminoethoxymethylthio)-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-aminoethoxymethylsulfanyl)-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(2-aminoethoxymethylthio)-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SCOCCN)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SCOCCN)C(=O)O)C(C)O

InChI

InChI=1S/C13H20N2O5S/c1-6-9-8(7(2)16)12(17)15(9)10(13(18)19)11(6)21-5-20-4-3-14/h6-9,16H,3-5,14H2,1-2H3,(H,18,19)