7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-3-methanoyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-3-methanoyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-trityloxyimino-acetyl]amino]-3-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-1-oxo-2-(triphenylmethyl)oxyiminoethyl]amino]-3-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-trityloxyiminoacetyl]amino]-3-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-trityloximino-acetyl]amino]-3-formyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C31H24N6O6S2 MolecularWeight: 640.68886

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=NSC(=N6)N)C(=O)O)C=O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/OC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)/C6=NSC(=N6)N)C(=O)O)C=O

InChI

InChI=1S/C31H24N6O6S2/c32-30-34-25(36-45-30)22(26(39)33-23-27(40)37-24(29(41)42)18(16-38)17-44-28(23)37)35-43-31(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-16,23,28H,17H2,(H,33,39)(H,41,42)(H2,32,34,36)/b35-22+