2-[2,3-bis(chloranyl)phenyl]-4-methyl-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid

Systemtic Name: 2-[2,3-bis(chloranyl)phenyl]-4-methyl-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid Openeye Name: 2-(2,3-dichlorophenyl)-4-methyl-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid CAS Name: 2-(2,3-dichlorophenyl)-4-methyl-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid IUPAC Name: 2-(2,3-dichlorophenyl)-4-methyl-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid Traditional Name: 2-(2,3-dichlorophenyl)-4-methyl-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid Formula: C17H13Cl2NO2S MolecularWeight: 366.26162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(SC2=CC=CC=C2N1)C3=C(C(=CC=C3)Cl)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(SC2=CC=CC=C2N1)C3=C(C(=CC=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C17H13Cl2NO2S/c1-9-14(17(21)22)16(10-5-4-6-11(18)15(10)19)23-13-8-3-2-7-12(13)20-9/h2-8,16,20H,1H3,(H,21,22)