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

Systemtic Name: (diphenylmethyl) 7-azanyl-8-oxidanylidene-3-(2-phenylazanyl-1,3-thiazol-5-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-amino-3-(2-anilinothiazol-5-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-(2-anilino-5-thiazolyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-amino-3-(2-anilino-1,3-thiazol-5-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-(2-anilinothiazol-5-yl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C29H24N4O3S2 MolecularWeight: 540.65586

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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)C5=CN=C(S5)NC6=CC=CC=C6

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C5=CN=C(S5)NC6=CC=CC=C6

InChI

InChI=1S/C29H24N4O3S2/c30-23-26(34)33-24(28(35)36-25(18-10-4-1-5-11-18)19-12-6-2-7-13-19)21(17-37-27(23)33)22-16-31-29(38-22)32-20-14-8-3-9-15-20/h1-16,23,25,27H,17,30H2,(H,31,32)