1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3,4-dimethylphenoxy)ethanone

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3,4-dimethylphenoxy)ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3,4-dimethylphenoxy)ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3,4-dimethylphenoxy)ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3,4-dimethylphenoxy)ethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3,4-dimethylphenoxy)ethanone Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)N2CCCSC3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)N2CCCSC3=CC=CC=C32)C

InChI

InChI=1S/C19H21NO2S/c1-14-8-9-16(12-15(14)2)22-13-19(21)20-10-5-11-23-18-7-4-3-6-17(18)20/h3-4,6-9,12H,5,10-11,13H2,1-2H3