(6R,7R)-7-[[(2Z)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-thiazol-4-yl)-2-methyloximino-acetyl]amino]-3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H13ClN8O5S4 MolecularWeight: 549.02732

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=C(SC(=N1)N)Cl)C(=O)NC2C3N(C2=O)C(=C(CS3)SC4=NN=C(S4)N)C(=O)O

Isomeric SMILES

CO/N=C(/C1=C(SC(=N1)N)Cl)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SC4=NN=C(S4)N)C(=O)O

InChI

InChI=1S/C15H13ClN8O5S4/c1-29-23-5(4-8(16)32-13(17)20-4)9(25)19-6-10(26)24-7(12(27)28)3(2-30-11(6)24)31-15-22-21-14(18)33-15/h6,11H,2H2,1H3,(H2,17,20)(H2,18,21)(H,19,25)(H,27,28)/b23-5-/t6-,11-/m1/s1