3-(4-oxidanylidene-1,5-benzothiazepin-5-yl)propanoic acid

Systemtic Name: 3-(4-oxidanylidene-1,5-benzothiazepin-5-yl)propanoic acid Openeye Name: 3-(4-oxo-1,5-benzothiazepin-5-yl)propanoic acid CAS Name: 3-(4-oxo-1,5-benzothiazepin-5-yl)propanoic acid IUPAC Name: 3-(4-oxo-1,5-benzothiazepin-5-yl)propanoic acid Traditional Name: 3-(4-keto-1,5-benzothiazepin-5-yl)propionic acid Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C=CS2)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C=CS2)CCC(=O)O

InChI

InChI=1S/C12H11NO3S/c14-11-6-8-17-10-4-2-1-3-9(10)13(11)7-5-12(15)16/h1-4,6,8H,5,7H2,(H,15,16)