methyl 7-[4-(2-methylsulfanylethoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: methyl 7-[4-(2-methylsulfanylethoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-[4-(2-methylsulfanylethoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 1-methylsulfonyl-7-[4-[2-(methylthio)ethoxy]phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[4-(2-methylsulfanylethoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 1-mesyl-7-[4-[2-(methylthio)ethoxy]phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C22H25NO5S2 MolecularWeight: 447.5676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)OCCSC)N(CC1)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)OCCSC)N(CC1)S(=O)(=O)C

InChI

InChI=1S/C22H25NO5S2/c1-27-22(24)18-10-11-23(30(3,25)26)21-9-6-17(14-19(21)15-18)16-4-7-20(8-5-16)28-12-13-29-2/h4-9,14-15H,10-13H2,1-3H3