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

Systemtic Name: methyl 1-(6-methyl-4-oxidanylidene-thiochromen-3-yl)piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 1-(6-methyl-4-oxothiochromen-3-yl)piperidine-4-carboxylate Traditional Name: 1-(4-keto-6-methyl-thiochromen-3-yl)isonipecotic acid methyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC=C(C2=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)SC=C(C2=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C17H19NO3S/c1-11-3-4-15-13(9-11)16(19)14(10-22-15)18-7-5-12(6-8-18)17(20)21-2/h3-4,9-10,12H,5-8H2,1-2H3