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

Systemtic Name: (diphenylmethyl) 7-azanyl-3-(1,3-benzothiazol-2-ylsulfanyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-amino-3-(1,3-benzothiazol-2-ylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-(1,3-benzothiazol-2-ylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-amino-3-(1,3-benzothiazol-2-ylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-(1,3-benzothiazol-2-ylthio)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C27H21N3O3S3 MolecularWeight: 531.66894

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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)SC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)SC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C27H21N3O3S3/c28-21-24(31)30-22(20(15-34-25(21)30)36-27-29-18-13-7-8-14-19(18)35-27)26(32)33-23(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21,23,25H,15,28H2