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

Systemtic Name: methyl 7-[4-(2-methylsulfanylethoxy)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate Openeye Name: methyl 7-[4-(2-methylsulfanylethoxy)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate CAS Name: 7-[4-[2-(methylthio)ethoxy]phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[4-(2-methylsulfanylethoxy)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate Traditional Name: 7-[4-[2-(methylthio)ethoxy]phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid methyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)OCCSC)NCC1

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)OCCSC)NCC1

InChI

InChI=1S/C21H23NO3S/c1-24-21(23)17-9-10-22-20-8-5-16(13-18(20)14-17)15-3-6-19(7-4-15)25-11-12-26-2/h3-8,13-14,22H,9-12H2,1-2H3