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

Systemtic Name: methyl 1-methanoyl-7-[4-(2-methylsulfanylethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 1-formyl-7-[4-(2-methylsulfanylethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 1-formyl-7-[4-[2-(methylthio)ethoxy]phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 1-formyl-7-[4-(2-methylsulfanylethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 1-formyl-7-[4-[2-(methylthio)ethoxy]phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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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)C=O

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4S/c1-26-22(25)18-9-10-23(15-24)21-8-5-17(13-19(21)14-18)16-3-6-20(7-4-16)27-11-12-28-2/h3-8,13-15H,9-12H2,1-2H3