N-(3-chloranyl-4-methyl-phenyl)-2-[(2S)-2-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[(2S)-2-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[(2S)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[(2S)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[(2S)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[(2S)-4-keto-2-methyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Formula: C19H19ClN2O2S MolecularWeight: 374.88436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)NC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

C[C@H]1CC(=O)N(C2=CC=CC=C2S1)CC(=O)NC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C19H19ClN2O2S/c1-12-7-8-14(10-15(12)20)21-18(23)11-22-16-5-3-4-6-17(16)25-13(2)9-19(22)24/h3-8,10,13H,9,11H2,1-2H3,(H,21,23)/t13-/m0/s1