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

Systemtic Name: 2-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxidanylidene-ethanoic acid Openeye Name: 2-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxo-acetic acid CAS Name: 2-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxoacetic acid IUPAC Name: 2-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxoacetic acid Traditional Name: 2-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-keto-acetic acid Formula: C11H11NO3S MolecularWeight: 237.27494

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2CN1C(=O)C(=O)O

Isomeric SMILES

C1CSC2=CC=CC=C2CN1C(=O)C(=O)O

InChI

InChI=1S/C11H11NO3S/c13-10(11(14)15)12-5-6-16-9-4-2-1-3-8(9)7-12/h1-4H,5-7H2,(H,14,15)