1-(1-oxidanylideneisothiochromen-3-yl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(1-oxidanylideneisothiochromen-3-yl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(1-oxoisothiochromene-3-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[oxo-(1-oxo-2-benzothiopyran-3-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(1-oxoisothiochromene-3-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(1-ketoisothiochromene-3-carbonyl)isonipecotic acid Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC3=CC=CC=C3C(=O)S2

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC3=CC=CC=C3C(=O)S2

InChI

InChI=1S/C16H15NO4S/c18-14(17-7-5-10(6-8-17)15(19)20)13-9-11-3-1-2-4-12(11)16(21)22-13/h1-4,9-10H,5-8H2,(H,19,20)