ethyl 1-[[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl]carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl]carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[4-(2-methoxy-2-oxo-ethyl)phenyl]carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[4-(2-methoxy-2-oxoethyl)anilino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[[4-(2-keto-2-methoxy-ethyl)phenyl]thiocarbamoyl]isonipecotic acid ethyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC=C(C=C2)CC(=O)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC=C(C=C2)CC(=O)OC

InChI

InChI=1S/C18H24N2O4S/c1-3-24-17(22)14-8-10-20(11-9-14)18(25)19-15-6-4-13(5-7-15)12-16(21)23-2/h4-7,14H,3,8-12H2,1-2H3,(H,19,25)