(diphenylmethyl) 7-azanyl-8-oxidanylidene-3-[(E)-2-pyridin-4-ylethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-azanyl-8-oxidanylidene-3-[(E)-2-pyridin-4-ylethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-amino-8-oxo-3-[(E)-2-(4-pyridyl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-8-oxo-3-[(E)-2-pyridin-4-ylethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-amino-8-oxo-3-[(E)-2-pyridin-4-ylethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-[(E)-2-(4-pyridyl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C27H23N3O3S MolecularWeight: 469.55482

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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)C=CC5=CC=NC=C5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)/C=C/C5=CC=NC=C5

InChI

InChI=1S/C27H23N3O3S/c28-22-25(31)30-23(21(17-34-26(22)30)12-11-18-13-15-29-16-14-18)27(32)33-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16,22,24,26H,17,28H2/b12-11+