2-(4-chloranyl-2-ethanoyl-phenoxy)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone

Systemtic Name: 2-(4-chloranyl-2-ethanoyl-phenoxy)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Openeye Name: 2-(2-acetyl-4-chloro-phenoxy)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone CAS Name: 2-(2-acetyl-4-chlorophenoxy)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone IUPAC Name: 2-(2-acetyl-4-chlorophenoxy)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Traditional Name: 2-(2-acetyl-4-chloro-phenoxy)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Formula: C20H20ClNO3S MolecularWeight: 389.8957

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC3=C(C=C(C=C3)Cl)C(=O)C

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)COC3=C(C=C(C=C3)Cl)C(=O)C

InChI

InChI=1S/C20H20ClNO3S/c1-13-9-10-22(17-5-3-4-6-19(17)26-13)20(24)12-25-18-8-7-15(21)11-16(18)14(2)23/h3-8,11,13H,9-10,12H2,1-2H3/t13-/m0/s1