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

Systemtic Name: 3-methyl-7-[2-(methyldisulfanyl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methyl-7-[[2-(methyldisulfanyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-methyl-7-[[2-(methyldisulfanyl)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methyl-7-[[2-(methyldisulfanyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-methyl-7-[[2-(methyldisulfanyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H14N2O4S3 MolecularWeight: 334.43486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CSSC)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)CSSC)SC1)C(=O)O

InChI

InChI=1S/C11H14N2O4S3/c1-5-3-19-10-7(12-6(14)4-20-18-2)9(15)13(10)8(5)11(16)17/h7,10H,3-4H2,1-2H3,(H,12,14)(H,16,17)