methyl 7,8-dimethoxy-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate

Systemtic Name: methyl 7,8-dimethoxy-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate Openeye Name: methyl 7,8-dimethoxy-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate CAS Name: 7,8-dimethoxy-5-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid methyl ester IUPAC Name: methyl 7,8-dimethoxy-5-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate Traditional Name: 7,8-dimethoxy-5-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid methyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2CCNCC(C2=C1)C3=CC=C(C=C3)SC)C(=O)OC)OC

Isomeric SMILES

COC1=C(C(=C2CCNCC(C2=C1)C3=CC=C(C=C3)SC)C(=O)OC)OC

InChI

InChI=1S/C21H25NO4S/c1-24-18-11-16-15(19(20(18)25-2)21(23)26-3)9-10-22-12-17(16)13-5-7-14(27-4)8-6-13/h5-8,11,17,22H,9-10,12H2,1-4H3