3-[(E)-C-(2-ethylsulfanyl-4-methyl-phenyl)sulfonylcarbonohydrazonoyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(E)-C-(2-ethylsulfanyl-4-methyl-phenyl)sulfonylcarbonohydrazonoyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(E)-(2-ethylsulfanyl-4-methyl-phenyl)sulfonylcarbonohydrazonoyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(E)-[2-(ethylthio)-4-methylphenyl]sulfonyl-hydrazinylidenemethyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(E)-C-(2-ethylsulfanyl-4-methylphenyl)sulfonylcarbonohydrazonoyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(E)-[2-(ethylthio)-4-methyl-phenyl]sulfonylcarbohydrazonoyl]-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H24N4O6S4 MolecularWeight: 580.71986

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC(=C1)C)S(=O)(=O)C(=NN)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

Isomeric SMILES

CCSC1=C(C=CC(=C1)C)S(=O)(=O)/C(=N/N)/C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

InChI

InChI=1S/C23H24N4O6S4/c1-3-34-15-9-12(2)6-7-16(15)37(32,33)20(26-24)14-11-36-22-18(21(29)27(22)19(14)23(30)31)25-17(28)10-13-5-4-8-35-13/h4-9,18,22H,3,10-11,24H2,1-2H3,(H,25,28)(H,30,31)/b26-20+