(diphenylmethyl) 3-(2-acetamido-1,3-thiazol-5-yl)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-(2-acetamido-1,3-thiazol-5-yl)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-(2-acetamidothiazol-5-yl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(2-acetamido-5-thiazolyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-(2-acetamido-1,3-thiazol-5-yl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(2-acetamidothiazol-5-yl)-7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C25H22N4O4S2 MolecularWeight: 506.59658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(S1)C2=C(N3C(C(C3=O)N)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=NC=C(S1)C2=C(N3C(C(C3=O)N)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O4S2/c1-14(30)28-25-27-12-18(35-25)17-13-34-23-19(26)22(31)29(23)20(17)24(32)33-21(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12,19,21,23H,13,26H2,1H3,(H,27,28,30)