ethyl 7,8-dimethoxy-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Systemtic Name: ethyl 7,8-dimethoxy-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: ethyl 7,8-dimethoxy-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: 7,8-dimethoxy-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7,8-dimethoxy-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: 7,8-dimethoxy-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC(=C(C(=C2CC1)SC3=CC=CC=C3)OC)OC

Isomeric SMILES

CCOC(=O)N1CCC2=CC(=C(C(=C2CC1)SC3=CC=CC=C3)OC)OC

InChI

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