7-azanyl-2-(diphenylmethyl)oxycarbonyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid

Systemtic Name: 7-azanyl-2-(diphenylmethyl)oxycarbonyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid Openeye Name: 7-amino-2-benzhydryloxycarbonyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid CAS Name: 7-amino-2-[(diphenylmethyl)oxy-oxomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid IUPAC Name: 7-amino-2-benzhydryloxycarbonyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid Traditional Name: 7-amino-2-benzhydryloxycarbonyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H18N2O5S/c22-15-18(24)23-16(14(20(25)26)11-29-19(15)23)21(27)28-17(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,17,19H,11,22H2,(H,25,26)