ethyl 1-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoyl]isonipecotic acid ethyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H26N2O5S/c1-4-27-19(24)15-9-11-22(12-10-15)20(28)21-18(23)8-6-14-5-7-16(25-2)17(13-14)26-3/h5-8,13,15H,4,9-12H2,1-3H3,(H,21,23,28)/b8-6+