7-[[(2E)-2-(carboxymethyloxyimino)-2-phenyl-ethanoyl]amino]-3-ethylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(carboxymethyloxyimino)-2-phenyl-ethanoyl]amino]-3-ethylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(carboxymethyloxyimino)-2-phenyl-acetyl]amino]-3-ethylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(carboxymethyloxyimino)-1-oxo-2-phenylethyl]amino]-3-(ethylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(carboxymethyloxyimino)-2-phenylacetyl]amino]-3-ethylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(carboxymethyloximino)-2-phenyl-acetyl]amino]-3-(ethylthio)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H19N3O7S2 MolecularWeight: 465.50006

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CC=CC=C3)SC1)C(=O)O

Isomeric SMILES

CCSC1=C(N2C(C(C2=O)NC(=O)/C(=N/OCC(=O)O)/C3=CC=CC=C3)SC1)C(=O)O

InChI

InChI=1S/C19H19N3O7S2/c1-2-30-11-9-31-18-14(17(26)22(18)15(11)19(27)28)20-16(25)13(21-29-8-12(23)24)10-6-4-3-5-7-10/h3-7,14,18H,2,8-9H2,1H3,(H,20,25)(H,23,24)(H,27,28)/b21-13+