(phenylmethyl) 7-(4-phenoxyphenyl)-1,4-thiazepane-4-carboxylate

Systemtic Name: (phenylmethyl) 7-(4-phenoxyphenyl)-1,4-thiazepane-4-carboxylate Openeye Name: benzyl 7-(4-phenoxyphenyl)-1,4-thiazepane-4-carboxylate CAS Name: 7-(4-phenoxyphenyl)-1,4-thiazepane-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-(4-phenoxyphenyl)-1,4-thiazepane-4-carboxylate Traditional Name: 7-(4-phenoxyphenyl)-1,4-thiazepane-4-carboxylic acid benzyl ester Formula: C25H25NO3S MolecularWeight: 419.5359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCSC1C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCSC1C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25NO3S/c27-25(28-19-20-7-3-1-4-8-20)26-16-15-24(30-18-17-26)21-11-13-23(14-12-21)29-22-9-5-2-6-10-22/h1-14,24H,15-19H2