3-(2-acetamidoethylsulfanyl)-6-(dimethylamino)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(2-acetamidoethylsulfanyl)-6-(dimethylamino)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-acetamidoethylsulfanyl)-6-(dimethylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(2-acetamidoethylthio)-6-(dimethylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-acetamidoethylsulfanyl)-6-(dimethylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(2-acetamidoethylthio)-6-(dimethylamino)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=C(N2C(C1)C(C2=O)N(C)C)C(=O)O

Isomeric SMILES

CC(=O)NCCSC1=C(N2C(C1)C(C2=O)N(C)C)C(=O)O

InChI

InChI=1S/C13H19N3O4S/c1-7(17)14-4-5-21-9-6-8-10(15(2)3)12(18)16(8)11(9)13(19)20/h8,10H,4-6H2,1-3H3,(H,14,17)(H,19,20)