(diphenylmethyl) (6S)-8-oxidanylidene-3-piperidin-1-yl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) (6S)-8-oxidanylidene-3-piperidin-1-yl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl (6S)-8-oxo-3-(1-piperidyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-(1-piperidinyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (6S)-8-oxo-3-piperidin-1-yl-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S)-8-keto-3-piperidino-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C31H31N3O4S2 MolecularWeight: 573.72554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)C2=C(N3[C@H](C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H31N3O4S2/c35-25(19-23-15-10-18-39-23)32-26-29(36)34-27(24(20-40-30(26)34)33-16-8-3-9-17-33)31(37)38-28(21-11-4-1-5-12-21)22-13-6-2-7-14-22/h1-2,4-7,10-15,18,26,28,30H,3,8-9,16-17,19-20H2,(H,32,35)/t26?,30-/m0/s1