ethyl (3S)-1-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(4,5-dimethoxy-2-methoxycarbonylanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2-carbomethoxy-4,5-dimethoxy-phenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C19H26N2O6S MolecularWeight: 410.48454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC

InChI

InChI=1S/C19H26N2O6S/c1-5-27-17(22)12-7-6-8-21(11-12)19(28)20-14-10-16(25-3)15(24-2)9-13(14)18(23)26-4/h9-10,12H,5-8,11H2,1-4H3,(H,20,28)/t12-/m0/s1