(diphenylmethyl) 6-ethyl-7-oxidanylidene-3-propylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 6-ethyl-7-oxidanylidene-3-propylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzhydryl 6-ethyl-7-oxo-3-propylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-ethyl-7-oxo-3-(propylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 6-ethyl-7-oxo-3-propylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-ethyl-7-keto-3-(propylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzhydryl ester Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(N2C(C1)C(C2=O)CC)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=C(N2C(C1)C(C2=O)CC)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27NO3S/c1-3-15-30-21-16-20-19(4-2)24(27)26(20)22(21)25(28)29-23(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-20,23H,3-4,15-16H2,1-2H3