ethyl 1-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]carbothioylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]carbothioylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-benzenecarbothioyl]piperidine-4-carboxylate CAS Name: 1-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(2-amino-2-oxoethoxy)-3-methoxybenzenecarbothioyl]piperidine-4-carboxylate Traditional Name: 1-[4-(2-amino-2-keto-ethoxy)-3-methoxy-thiobenzoyl]isonipecotic acid ethyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5S/c1-3-24-18(22)12-6-8-20(9-7-12)17(26)13-4-5-14(15(10-13)23-2)25-11-16(19)21/h4-5,10,12H,3,6-9,11H2,1-2H3,(H2,19,21)