7-azanyl-3-methyl-8-oxidanylidene-4-(sulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-methyl-8-oxidanylidene-4-(sulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-methyl-8-oxo-4-(sulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-4-(mercaptomethyl)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-methyl-8-oxo-4-(sulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-4-(mercaptomethyl)-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C9H12N2O3S2 MolecularWeight: 260.33318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)N)SC1CS)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)N)SC1CS)C(=O)O

InChI

InChI=1S/C9H12N2O3S2/c1-3-4(2-15)16-8-5(10)7(12)11(8)6(3)9(13)14/h4-5,8,15H,2,10H2,1H3,(H,13,14)