3-[(E)-C-(4-methylphenyl)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-(4-methylphenyl)sulfonylcarbonohydrazonoyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-3-[(E)-p-tolylsulfonylcarbonohydrazonoyl]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(E)-hydrazinylidene-(4-methylphenyl)sulfonylmethyl]-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-(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: 8-keto-7-[[2-(2-thienyl)acetyl]amino]-3-[(E)-tosylcarbohydrazonoyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H20N4O6S3 MolecularWeight: 520.6017

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=NN)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=N/N)/C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

InChI

InChI=1S/C21H20N4O6S3/c1-11-4-6-13(7-5-11)34(30,31)18(24-22)14-10-33-20-16(19(27)25(20)17(14)21(28)29)23-15(26)9-12-3-2-8-32-12/h2-8,16,20H,9-10,22H2,1H3,(H,23,26)(H,28,29)/b24-18+