2-(2-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoic acid

Systemtic Name: 2-(2-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoic acid Openeye Name: 2-(2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid CAS Name: 2-(2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid IUPAC Name: 2-(2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid Traditional Name: 2-(4-keto-2-methyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)O

Isomeric SMILES

CC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)O

InChI

InChI=1S/C12H13NO3S/c1-8-6-11(14)13(7-12(15)16)9-4-2-3-5-10(9)17-8/h2-5,8H,6-7H2,1H3,(H,15,16)