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

Systemtic Name: 4-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)butanoic acid Openeye Name: 4-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)butanoic acid CAS Name: 4-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)butanoic acid IUPAC Name: 4-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)butanoic acid Traditional Name: 4-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)butyric acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N(C1=O)CCCC(=O)O

Isomeric SMILES

C1CSC2=CC=CC=C2N(C1=O)CCCC(=O)O

InChI

InChI=1S/C13H15NO3S/c15-12-7-9-18-11-5-2-1-4-10(11)14(12)8-3-6-13(16)17/h1-2,4-5H,3,6-9H2,(H,16,17)