ethyl 1-[(3-aminocarbonyl-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-aminocarbonyl-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-carbamoyl-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(3-carbamoyl-4,6-dimethyl-2-sulfanylidene-1-pyridinyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-carbamoyl-4,6-dimethyl-2-sulfanylidenepyridin-1-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(3-carbamoyl-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]isonipecotic acid ethyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C(=CC(=C(C2=S)C(=O)N)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C(=CC(=C(C2=S)C(=O)N)C)C

InChI

InChI=1S/C17H25N3O3S/c1-4-23-17(22)13-5-7-19(8-6-13)10-20-12(3)9-11(2)14(15(18)21)16(20)24/h9,13H,4-8,10H2,1-3H3,(H2,18,21)