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

Systemtic Name: tert-butyl 7-[4-(4-methoxyphenoxy)phenyl]-1,4-thiazepane-4-carboxylate Openeye Name: tert-butyl 7-[4-(4-methoxyphenoxy)phenyl]-1,4-thiazepane-4-carboxylate CAS Name: 7-[4-(4-methoxyphenoxy)phenyl]-1,4-thiazepane-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[4-(4-methoxyphenoxy)phenyl]-1,4-thiazepane-4-carboxylate Traditional Name: 7-[4-(4-methoxyphenoxy)phenyl]-1,4-thiazepane-4-carboxylic acid tert-butyl ester Formula: C23H29NO4S MolecularWeight: 415.54566

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4S/c1-23(2,3)28-22(25)24-14-13-21(29-16-15-24)17-5-7-19(8-6-17)27-20-11-9-18(26-4)10-12-20/h5-12,21H,13-16H2,1-4H3