ethyl 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]thiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]thiomorpholine-3-carboxylate Openeye Name: ethyl 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]thiomorpholine-3-carboxylate CAS Name: 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiomorpholine-3-carboxylate Traditional Name: 4-[2-(homoveratrylamino)-2-keto-ethyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1CC(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1CSCCN1CC(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H28N2O5S/c1-4-26-19(23)15-13-27-10-9-21(15)12-18(22)20-8-7-14-5-6-16(24-2)17(11-14)25-3/h5-6,11,15H,4,7-10,12-13H2,1-3H3,(H,20,22)