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

Systemtic Name: (diphenylmethyl) 7-azanyl-3-(cyclohexylsulfanylcarbonylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-amino-3-(cyclohexylsulfanylcarbonylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[[(cyclohexylthio)-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-amino-3-(cyclohexylsulfanylcarbonylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-[(cyclohexylthio)carbonylamino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C27H29N3O4S2 MolecularWeight: 523.66686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC(=O)NC2=C(N3C(C(C3=O)N)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)SC(=O)NC2=C(N3C(C(C3=O)N)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O4S2/c28-21-24(31)30-22(20(16-35-25(21)30)29-27(33)36-19-14-8-3-9-15-19)26(32)34-23(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,21,23,25H,3,8-9,14-16,28H2,(H,29,33)