methyl 1-(4-oxidanylidenethiochromen-3-yl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(4-oxidanylidenethiochromen-3-yl)piperidine-4-carboxylate Openeye Name: methyl 1-(4-oxothiochromen-3-yl)piperidine-4-carboxylate CAS Name: 1-(4-oxo-1-benzothiopyran-3-yl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-oxothiochromen-3-yl)piperidine-4-carboxylate Traditional Name: 1-(4-ketothiochromen-3-yl)isonipecotic acid methyl ester Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=CSC3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=CSC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H17NO3S/c1-20-16(19)11-6-8-17(9-7-11)13-10-21-14-5-3-2-4-12(14)15(13)18/h2-5,10-11H,6-9H2,1H3