tert-butyl 2-[4-(4,5-diphenyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(4,5-diphenyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(4,5-diphenylthiazol-2-yl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-(4,5-diphenyl-2-thiazolyl)-1,4-diazepan-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(4,5-diphenyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(4,5-diphenylthiazol-2-yl)-1,4-diazepan-1-yl]acetic acid tert-butyl ester Formula: C26H31N3O2S MolecularWeight: 449.60824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCCN(CC1)C2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCCN(CC1)C2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2S/c1-26(2,3)31-22(30)19-28-15-10-16-29(18-17-28)25-27-23(20-11-6-4-7-12-20)24(32-25)21-13-8-5-9-14-21/h4-9,11-14H,10,15-19H2,1-3H3