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

Systemtic Name: 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-7-(phenylsulfonyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(benzenesulfonyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-(benzenesulfonyl)-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(benzenesulfonyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-besyl-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H15N3O5S4 MolecularWeight: 469.5781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)S(=O)(=O)C4=CC=CC=C4)SC2)C(=O)O

Isomeric SMILES

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)S(=O)(=O)C4=CC=CC=C4)SC2)C(=O)O

InChI

InChI=1S/C17H15N3O5S4/c1-9-18-19-17(28-9)27-8-10-7-26-15-13(14(21)20(15)12(10)16(22)23)29(24,25)11-5-3-2-4-6-11/h2-6,13,15H,7-8H2,1H3,(H,22,23)