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

Systemtic Name: 7-[(2-methylsulfanyl-2-thiophen-2-yl-ethanoyl)amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-methylsulfanyl-2-(2-thienyl)acetyl]amino]-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: 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[[2-(methylthio)-1-oxo-2-thiophen-2-ylethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-methylsulfanyl-2-thiophen-2-ylacetyl)amino]-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: 8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[[2-(methylthio)-2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H18N4O4S5 MolecularWeight: 514.68492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CS4)SC)SC2)C(=O)O

Isomeric SMILES

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CS4)SC)SC2)C(=O)O

InChI

InChI=1S/C18H18N4O4S5/c1-8-20-21-18(31-8)30-7-9-6-29-16-11(15(24)22(16)12(9)17(25)26)19-14(23)13(27-2)10-4-3-5-28-10/h3-5,11,13,16H,6-7H2,1-2H3,(H,19,23)(H,25,26)