4-(diphenylmethyl)-8-oxidanylidene-7-(2-phenoxyethanoylamino)-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 4-(diphenylmethyl)-8-oxidanylidene-7-(2-phenoxyethanoylamino)-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 4-benzhydryl-8-oxo-7-[(2-phenoxyacetyl)amino]-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 4-(diphenylmethyl)-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 4-benzhydryl-8-oxo-7-[(2-phenoxyacetyl)amino]-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 4-benzhydryl-8-keto-7-[(2-phenoxyacetyl)amino]-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C31H27N2O5S- MolecularWeight: 539.62148

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

C/C=C/C1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C31H28N2O5S/c1-2-12-23-27(31(36)37)33-29(35)26(32-24(34)19-38-22-17-10-5-11-18-22)30(33)39-28(23)25(20-13-6-3-7-14-20)21-15-8-4-9-16-21/h2-18,25-26,28,30H,19H2,1H3,(H,32,34)(H,36,37)/p-1/b12-2+