ethyl 1-(6-methyl-4-oxidanylidene-thiochromen-3-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(6-methyl-4-oxidanylidene-thiochromen-3-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(6-methyl-4-oxo-thiochromen-3-yl)piperidine-4-carboxylate CAS Name: 1-(6-methyl-4-oxo-1-benzothiopyran-3-yl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-methyl-4-oxothiochromen-3-yl)piperidine-4-carboxylate Traditional Name: 1-(4-keto-6-methyl-thiochromen-3-yl)isonipecotic acid ethyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CSC3=C(C2=O)C=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CSC3=C(C2=O)C=C(C=C3)C

InChI

InChI=1S/C18H21NO3S/c1-3-22-18(21)13-6-8-19(9-7-13)15-11-23-16-5-4-12(2)10-14(16)17(15)20/h4-5,10-11,13H,3,6-9H2,1-2H3