(phenylmethyl) 3-azanyl-4-[bis(phenylsulfanyl)methyl]cyclopentane-1-carboxylate

Systemtic Name: (phenylmethyl) 3-azanyl-4-[bis(phenylsulfanyl)methyl]cyclopentane-1-carboxylate Openeye Name: benzyl 3-amino-4-[bis(phenylsulfanyl)methyl]cyclopentanecarboxylate CAS Name: 3-amino-4-[bis(phenylthio)methyl]-1-cyclopentanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-amino-4-[bis(phenylsulfanyl)methyl]cyclopentane-1-carboxylate Traditional Name: 3-amino-4-[bis(phenylthio)methyl]cyclopentanecarboxylic acid benzyl ester Formula: C26H27NO2S2 MolecularWeight: 449.62808

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(C1C(SC2=CC=CC=C2)SC3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C(CC(C1C(SC2=CC=CC=C2)SC3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27NO2S2/c27-24-17-20(25(28)29-18-19-10-4-1-5-11-19)16-23(24)26(30-21-12-6-2-7-13-21)31-22-14-8-3-9-15-22/h1-15,20,23-24,26H,16-18,27H2