1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-(4-ethanoylphenoxy)butan-1-one

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-(4-ethanoylphenoxy)butan-1-one Openeye Name: 4-(4-acetylphenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one CAS Name: 4-(4-acetylphenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-butanone IUPAC Name: 4-(4-acetylphenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one Traditional Name: 4-(4-acetylphenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCCC(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCCC(=O)N2CCCSC3=CC=CC=C32

InChI

InChI=1S/C21H23NO3S/c1-16(23)17-9-11-18(12-10-17)25-14-4-8-21(24)22-13-5-15-26-20-7-3-2-6-19(20)22/h2-3,6-7,9-12H,4-5,8,13-15H2,1H3