benzenesulfonic acid; 1-cyclohexyloxycarbonyloxyethyl (4R,5S,6S)-3-[1-[(4-fluorophenyl)methyl]azetidin-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: benzenesulfonic acid; 1-cyclohexyloxycarbonyloxyethyl (4R,5S,6S)-3-[1-[(4-fluorophenyl)methyl]azetidin-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzenesulfonic acid; 1-(cyclohexoxycarbonyloxy)ethyl (4R,5S,6S)-3-[1-[(4-fluorophenyl)methyl]azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: benzenesulfonic acid; (4R,5S,6S)-3-[[1-[(4-fluorophenyl)methyl]-3-azetidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 1-[cyclohexyloxy(oxo)methoxy]ethyl ester IUPAC Name: benzenesulfonic acid; 1-cyclohexyloxycarbonyloxyethyl (4R,5S,6S)-3-[1-[(4-fluorophenyl)methyl]azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: besylic acid; (4R,5S,6S)-3-[[1-(4-fluorobenzyl)azetidin-3-yl]thio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 1-(cyclohexoxycarbonyloxy)ethyl ester Formula: C35H43FN2O10S2 MolecularWeight: 734.851723

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CN(C3)CC4=CC=C(C=C4)F)C(=O)OC(C)OC(=O)OC5CCCCC5)C(C)O.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CN(C3)CC4=CC=C(C=C4)F)C(=O)OC(C)OC(=O)OC5CCCCC5)[C@@H](C)O.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C29H37FN2O7S.C6H6O3S/c1-16-24-23(17(2)33)27(34)32(24)25(28(35)37-18(3)38-29(36)39-21-7-5-4-6-8-21)26(16)40-22-14-31(15-22)13-19-9-11-20(30)12-10-19;7-10(8,9)6-4-2-1-3-5-6/h9-12,16-18,21-24,33H,4-8,13-15H2,1-3H3;1-5H,(H,7,8,9)/t16-,17-,18?,23-,24-;/m1./s1