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

Systemtic Name: (diphenylmethyl) 7-acetamido-8-oxidanylidene-3-[(E)-2-pyridin-3-ylethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-acetamido-8-oxo-3-[(E)-2-(3-pyridyl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-acetamido-8-oxo-3-[(E)-2-(3-pyridinyl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-acetamido-8-oxo-3-[(E)-2-pyridin-3-ylethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-acetamido-8-keto-3-[(E)-2-(3-pyridyl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C29H25N3O4S MolecularWeight: 511.5915

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2N(C1=O)C(=C(CS2)C=CC3=CN=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1C2N(C1=O)C(=C(CS2)/C=C/C3=CN=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3O4S/c1-19(33)31-24-27(34)32-25(23(18-37-28(24)32)15-14-20-9-8-16-30-17-20)29(35)36-26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-17,24,26,28H,18H2,1H3,(H,31,33)/b15-14+