7-[[(2E)-2-methoxyimino-2-(2-oxidanylidene-3H-1,3-thiazol-4-yl)ethanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-methoxyimino-2-(2-oxidanylidene-3H-1,3-thiazol-4-yl)ethanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-methoxyimino-2-(2-oxo-3H-thiazol-4-yl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-methoxyimino-1-oxo-2-(2-oxo-3H-thiazol-4-yl)ethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-methoxyimino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[[(2E)-2-(2-keto-4-thiazolin-4-yl)-2-methyloximino-acetyl]amino]-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16N8O6S3 MolecularWeight: 512.54324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=O)N4)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OC)/C4=CSC(=O)N4)SC2)C(=O)O

InChI

InChI=1S/C16H16N8O6S3/c1-23-15(19-21-22-23)32-4-6-3-31-13-9(12(26)24(13)10(6)14(27)28)18-11(25)8(20-30-2)7-5-33-16(29)17-7/h5,9,13H,3-4H2,1-2H3,(H,17,29)(H,18,25)(H,27,28)/b20-8+