(diphenylmethyl) 7-azanyl-3-chloranyl-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-azanyl-3-chloranyl-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-amino-3-chloro-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-chloro-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-amino-3-chloro-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-chloro-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)Cl)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)N

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)Cl)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C21H19ClN2O4S/c1-27-21(23)19(26)24-16(15(22)12-29-20(21)24)18(25)28-17(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,17,20H,12,23H2,1H3