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

Systemtic Name: 7-[2-(cyanomethylsulfanyl)ethanoylamino]-3-ethoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(cyanomethylsulfanyl)acetyl]amino]-3-ethoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(cyanomethylthio)-1-oxoethyl]amino]-3-ethoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(cyanomethylsulfanyl)acetyl]amino]-3-ethoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(cyanomethylthio)acetyl]amino]-3-ethoxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H15N3O5S2 MolecularWeight: 357.4053

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N2C(C(C2=O)NC(=O)CSCC#N)SC1)C(=O)O

Isomeric SMILES

CCOC1=C(N2C(C(C2=O)NC(=O)CSCC#N)SC1)C(=O)O

InChI

InChI=1S/C13H15N3O5S2/c1-2-21-7-5-23-12-9(15-8(17)6-22-4-3-14)11(18)16(12)10(7)13(19)20/h9,12H,2,4-6H2,1H3,(H,15,17)(H,19,20)