methyl 7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate

Systemtic Name: methyl 7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate Openeye Name: methyl 7-(4-morpholinophenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate CAS Name: 7-[4-(4-morpholinyl)phenyl]-2,3-dihydro-1-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate Traditional Name: 7-(4-morpholinophenyl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid methyl ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)N4CCOCC4)SCC1

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)N4CCOCC4)SCC1

InChI

InChI=1S/C22H23NO3S/c1-25-22(24)18-8-13-27-21-7-4-17(14-19(21)15-18)16-2-5-20(6-3-16)23-9-11-26-12-10-23/h2-7,14-15H,8-13H2,1H3