tert-butyl 7-[4-(4-chloranylphenoxy)phenyl]-1,4-thiazepane-4-carboxylate

Systemtic Name: tert-butyl 7-[4-(4-chloranylphenoxy)phenyl]-1,4-thiazepane-4-carboxylate Openeye Name: tert-butyl 7-[4-(4-chlorophenoxy)phenyl]-1,4-thiazepane-4-carboxylate CAS Name: 7-[4-(4-chlorophenoxy)phenyl]-1,4-thiazepane-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[4-(4-chlorophenoxy)phenyl]-1,4-thiazepane-4-carboxylate Traditional Name: 7-[4-(4-chlorophenoxy)phenyl]-1,4-thiazepane-4-carboxylic acid tert-butyl ester Formula: C22H26ClNO3S MolecularWeight: 419.96474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(SCC1)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(SCC1)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClNO3S/c1-22(2,3)27-21(25)24-13-12-20(28-15-14-24)16-4-8-18(9-5-16)26-19-10-6-17(23)7-11-19/h4-11,20H,12-15H2,1-3H3