(6S)-7-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoylamino]-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: (6S)-7-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoylamino]-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: (6S)-7-[[2-(3-chloro-4-fluoro-phenyl)sulfanylacetyl]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: (6S)-7-[[2-[(3-chloro-4-fluorophenyl)thio]-1-oxoethyl]amino]-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: (6S)-7-[[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]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: (6S)-7-[[2-[(3-chloro-4-fluoro-phenyl)thio]acetyl]amino]-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: C19H16ClFN4O4S4 MolecularWeight: 547.066143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CSC4=CC(=C(C=C4)F)Cl)SC2)C(=O)O

Isomeric SMILES

CC1=NN=C(S1)SCC2=C(N3[C@H](C(C3=O)NC(=O)CSC4=CC(=C(C=C4)F)Cl)SC2)C(=O)O

InChI

InChI=1S/C19H16ClFN4O4S4/c1-8-23-24-19(33-8)32-6-9-5-31-17-14(16(27)25(17)15(9)18(28)29)22-13(26)7-30-10-2-3-12(21)11(20)4-10/h2-4,14,17H,5-7H2,1H3,(H,22,26)(H,28,29)/t14?,17-/m0/s1