7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid

Systemtic Name: 7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid Openeye Name: 7-(4-morpholinophenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid CAS Name: 7-[4-(4-morpholinyl)phenyl]-2,3-dihydro-1-benzothiepin-4-carboxylic acid IUPAC Name: 7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid Traditional Name: 7-(4-morpholinophenyl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C1C(=O)O)C=C(C=C2)C3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

C1CSC2=C(C=C1C(=O)O)C=C(C=C2)C3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H21NO3S/c23-21(24)17-7-12-26-20-6-3-16(13-18(20)14-17)15-1-4-19(5-2-15)22-8-10-25-11-9-22/h1-6,13-14H,7-12H2,(H,23,24)