tert-butyl 7-[2-(dimethylcarbamoyloxy)-2-(4-methylsulfanylphenoxy)ethyl]-1,3-dihydro-2-benzazepine-2-carboxylate

Systemtic Name: tert-butyl 7-[2-(dimethylcarbamoyloxy)-2-(4-methylsulfanylphenoxy)ethyl]-1,3-dihydro-2-benzazepine-2-carboxylate Openeye Name: tert-butyl 7-[2-(dimethylcarbamoyloxy)-2-(4-methylsulfanylphenoxy)ethyl]-1,3-dihydro-2-benzazepine-2-carboxylate CAS Name: 7-[2-[dimethylamino(oxo)methoxy]-2-[4-(methylthio)phenoxy]ethyl]-1,3-dihydro-2-benzazepine-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[2-(dimethylcarbamoyloxy)-2-(4-methylsulfanylphenoxy)ethyl]-1,3-dihydro-2-benzazepine-2-carboxylate Traditional Name: 7-[2-(dimethylcarbamoyloxy)-2-[4-(methylthio)phenoxy]ethyl]-1,3-dihydro-2-benzazepine-2-carboxylic acid tert-butyl ester Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC=CC2=C(C1)C=CC(=C2)CC(OC3=CC=C(C=C3)SC)OC(=O)N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=CC2=C(C1)C=CC(=C2)CC(OC3=CC=C(C=C3)SC)OC(=O)N(C)C

InChI

InChI=1S/C27H34N2O5S/c1-27(2,3)34-26(31)29-15-7-8-20-16-19(9-10-21(20)18-29)17-24(33-25(30)28(4)5)32-22-11-13-23(35-6)14-12-22/h7-14,16,24H,15,17-18H2,1-6H3