(diphenylmethyl) 7-benzamido-4-(chloromethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-benzamido-4-(chloromethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: benzhydryl 7-benzamido-4-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 7-benzamido-4-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-benzamido-4-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 7-benzamido-4-(chloromethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid benzhydryl ester Formula: C28H23ClN2O4S MolecularWeight: 519.01122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3C=C(SC4N3C(=O)C4NC(=O)C5=CC=CC=C5)CCl

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3C=C(SC4N3C(=O)C4NC(=O)C5=CC=CC=C5)CCl

InChI

InChI=1S/C28H23ClN2O4S/c29-17-21-16-22(28(34)35-24(18-10-4-1-5-11-18)19-12-6-2-7-13-19)31-26(33)23(27(31)36-21)30-25(32)20-14-8-3-9-15-20/h1-16,22-24,27H,17H2,(H,30,32)