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

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[(5-methyl-1,3,4-oxadiazol-2-yl)thio]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-3-[(5-methyl-1,3,4-oxadiazol-2-yl)thio]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H15N7O6S3 MolecularWeight: 497.5286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)SC2=C(N3C(CS2)C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)C(=O)O

Isomeric SMILES

CC1=NN=C(O1)SC2=C(N3C(CS2)C(C3=O)NC(=O)/C(=N/OC)/C4=CSC(=N4)N)C(=O)O

InChI

InChI=1S/C16H15N7O6S3/c1-5-20-21-16(29-5)32-14-10(13(26)27)23-7(4-30-14)9(12(23)25)19-11(24)8(22-28-2)6-3-31-15(17)18-6/h3,7,9H,4H2,1-2H3,(H2,17,18)(H,19,24)(H,26,27)/b22-8+