O1-tert-butyl O4-methyl 7-[4-(2-methylsulfanylethoxy)phenyl]-2,3-dihydro-1-benzazepine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-methyl 7-[4-(2-methylsulfanylethoxy)phenyl]-2,3-dihydro-1-benzazepine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-methyl 7-[4-(2-methylsulfanylethoxy)phenyl]-2,3-dihydro-1-benzazepine-1,4-dicarboxylate CAS Name: 7-[4-[2-(methylthio)ethoxy]phenyl]-2,3-dihydro-1-benzazepine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester IUPAC Name: 1-O-tert-butyl 4-O-methyl 7-[4-(2-methylsulfanylethoxy)phenyl]-2,3-dihydro-1-benzazepine-1,4-dicarboxylate Traditional Name: 7-[4-[2-(methylthio)ethoxy]phenyl]-2,3-dihydro-1-benzazepine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester Formula: C26H31NO5S MolecularWeight: 469.59304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=CC2=C1C=CC(=C2)C3=CC=C(C=C3)OCCSC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=CC2=C1C=CC(=C2)C3=CC=C(C=C3)OCCSC)C(=O)OC

InChI

InChI=1S/C26H31NO5S/c1-26(2,3)32-25(29)27-13-12-20(24(28)30-4)17-21-16-19(8-11-23(21)27)18-6-9-22(10-7-18)31-14-15-33-5/h6-11,16-17H,12-15H2,1-5H3