(2S)-2-(4-chloranylphenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one

Systemtic Name: (2S)-2-(4-chloranylphenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Openeye Name: (2S)-2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one CAS Name: (2S)-2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-propanone IUPAC Name: (2S)-2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Traditional Name: (2S)-2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Formula: C18H18ClNO2S MolecularWeight: 347.85902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCSC2=CC=CC=C21)OC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)N1CCCSC2=CC=CC=C21)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClNO2S/c1-13(22-15-9-7-14(19)8-10-15)18(21)20-11-4-12-23-17-6-3-2-5-16(17)20/h2-3,5-10,13H,4,11-12H2,1H3/t13-/m0/s1