[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-ethyl-5-propyl-thiophene-2-carboxylate

Systemtic Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-ethyl-5-propyl-thiophene-2-carboxylate Openeye Name: [(1S)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-ethyl-5-propyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-propyl-2-thiophenecarboxylic acid [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-propyl-thiophene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)OC(C)C(=O)NCC2=CC(=C(C=C2)OC)OC)CC

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)O[C@@H](C)C(=O)NCC2=CC(=C(C=C2)OC)OC)CC

InChI

InChI=1S/C22H29NO5S/c1-6-8-19-16(7-2)12-20(29-19)22(25)28-14(3)21(24)23-13-15-9-10-17(26-4)18(11-15)27-5/h9-12,14H,6-8,13H2,1-5H3,(H,23,24)/t14-/m0/s1