1-[1-[3-(1,3-benzothiazol-2-ylamino)-2-chloranyl-pyrrolidin-1-yl]-1-fluoranyl-3-(2-fluorophenyl)-2-oxidanylidene-propoxy]cyclohexane-1-carboxylate

Systemtic Name: 1-[1-[3-(1,3-benzothiazol-2-ylamino)-2-chloranyl-pyrrolidin-1-yl]-1-fluoranyl-3-(2-fluorophenyl)-2-oxidanylidene-propoxy]cyclohexane-1-carboxylate Openeye Name: 1-[1-[3-(1,3-benzothiazol-2-ylamino)-2-chloro-pyrrolidin-1-yl]-1-fluoro-3-(2-fluorophenyl)-2-oxo-propoxy]cyclohexanecarboxylate CAS Name: 1-[1-[3-(1,3-benzothiazol-2-ylamino)-2-chloro-1-pyrrolidinyl]-1-fluoro-3-(2-fluorophenyl)-2-oxopropoxy]-1-cyclohexanecarboxylate IUPAC Name: 1-[1-[3-(1,3-benzothiazol-2-ylamino)-2-chloropyrrolidin-1-yl]-1-fluoro-3-(2-fluorophenyl)-2-oxopropoxy]cyclohexane-1-carboxylate Traditional Name: 1-[1-[3-(1,3-benzothiazol-2-ylamino)-2-chloro-pyrrolidino]-1-fluoro-3-(2-fluorophenyl)-2-keto-propoxy]cyclohexanecarboxylate Formula: C27H27ClF2N3O4S- MolecularWeight: 563.035786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)[O-])OC(C(=O)CC2=CC=CC=C2F)(N3CCC(C3Cl)NC4=NC5=CC=CC=C5S4)F

Isomeric SMILES

C1CCC(CC1)(C(=O)[O-])OC(C(=O)CC2=CC=CC=C2F)(N3CCC(C3Cl)NC4=NC5=CC=CC=C5S4)F

InChI

InChI=1S/C27H28ClF2N3O4S/c28-23-20(32-25-31-19-10-4-5-11-21(19)38-25)12-15-33(23)27(30,22(34)16-17-8-2-3-9-18(17)29)37-26(24(35)36)13-6-1-7-14-26/h2-5,8-11,20,23H,1,6-7,12-16H2,(H,31,32)(H,35,36)/p-1