7-[[(2E)-2-hydroxyimino-2-phenyl-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-[[(2E)-2-hydroxyimino-2-phenyl-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-[[(2E)-2-hydroxyimino-2-phenyl-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: 7-[[(2E)-2-hydroxyimino-1-oxo-2-phenylethyl]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: 7-[[(2E)-2-hydroxyimino-2-phenylacetyl]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: 7-[[(2E)-2-hydroximino-2-phenyl-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: C19H17N5O5S3 MolecularWeight: 491.56378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NO)C4=CC=CC=C4)SC2)C(=O)O

Isomeric SMILES

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/O)/C4=CC=CC=C4)SC2)C(=O)O

InChI

InChI=1S/C19H17N5O5S3/c1-9-21-22-19(32-9)31-8-11-7-30-17-13(16(26)24(17)14(11)18(27)28)20-15(25)12(23-29)10-5-3-2-4-6-10/h2-6,13,17,29H,7-8H2,1H3,(H,20,25)(H,27,28)/b23-12+