(phenylmethyl) 1,4,7-trithia-10-azacyclododecane-10-carboxylate

Systemtic Name: (phenylmethyl) 1,4,7-trithia-10-azacyclododecane-10-carboxylate Openeye Name: benzyl 1,4,7-trithia-10-azacyclododecane-10-carboxylate CAS Name: 1,4,7-trithia-10-azacyclododecane-10-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1,4,7-trithia-10-azacyclododecane-10-carboxylate Traditional Name: 1,4,7-trithia-10-azacyclododecane-10-carboxylic acid benzyl ester Formula: C16H23NO2S3 MolecularWeight: 357.55432

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCSCCSCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CSCCSCCSCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H23NO2S3/c18-16(19-14-15-4-2-1-3-5-15)17-6-8-20-10-12-22-13-11-21-9-7-17/h1-5H,6-14H2