7,7-bis(azanyl)-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7,7-bis(azanyl)-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7,7-diamino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7,7-diamino-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7,7-diamino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7,7-diamino-8-keto-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H13N5O3S3 MolecularWeight: 359.44762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=N1)SCC2=C(N3C(C(C3=O)(N)N)SC2)C(=O)O

Isomeric SMILES

CC1=NSC(=N1)SCC2=C(N3C(C(C3=O)(N)N)SC2)C(=O)O

InChI

InChI=1S/C11H13N5O3S3/c1-4-14-10(22-15-4)21-3-5-2-20-9-11(12,13)8(19)16(9)6(5)7(17)18/h9H,2-3,12-13H2,1H3,(H,17,18)