(diphenylmethyl) 7-azanyl-3-(2-methyl-6-oxidanylidene-pyran-4-yl)sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-azanyl-3-(2-methyl-6-oxidanylidene-pyran-4-yl)sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-amino-3-(2-methyl-6-oxo-pyran-4-yl)sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[(2-methyl-6-oxo-4-pyranyl)thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-amino-3-(2-methyl-6-oxopyran-4-yl)sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-[(2-keto-6-methyl-pyran-4-yl)thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C26H22N2O5S2 MolecularWeight: 506.59328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=O)O1)SC2=C(N3C(C(C3=O)N)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC(=O)O1)SC2=C(N3C(C(C3=O)N)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H22N2O5S2/c1-15-12-18(13-20(29)32-15)35-19-14-34-25-21(27)24(30)28(25)22(19)26(31)33-23(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,21,23,25H,14,27H2,1H3