ethyl 1-[(4-oxidanylidene-2,3-dihydrothiochromen-8-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(4-oxidanylidene-2,3-dihydrothiochromen-8-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(4-oxothiochromane-8-carbonyl)piperidine-3-carboxylate CAS Name: 1-[oxo-(4-oxo-2,3-dihydro-1-benzothiopyran-8-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-oxo-2,3-dihydrothiochromene-8-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(4-ketothiochroman-8-carbonyl)nipecotic acid ethyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CC3=C2SCCC3=O

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CC3=C2SCCC3=O

InChI

InChI=1S/C18H21NO4S/c1-2-23-18(22)12-5-4-9-19(11-12)17(21)14-7-3-6-13-15(20)8-10-24-16(13)14/h3,6-7,12H,2,4-5,8-11H2,1H3