ethyl 1-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(4,5-dimethoxy-2-methoxycarbonylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(2-carbomethoxy-4,5-dimethoxy-phenyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C19H26N2O6S MolecularWeight: 410.48454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC

InChI

InChI=1S/C19H26N2O6S/c1-5-27-17(22)12-6-8-21(9-7-12)19(28)20-14-11-16(25-3)15(24-2)10-13(14)18(23)26-4/h10-12H,5-9H2,1-4H3,(H,20,28)