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

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [(1R)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OC(C)C(=O)NCC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)O[C@H](C)C(=O)NCC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C21H27NO5S/c1-6-7-16-11-19(28-14(16)3)21(24)27-13(2)20(23)22-12-15-8-9-17(25-4)18(10-15)26-5/h8-11,13H,6-7,12H2,1-5H3,(H,22,23)/t13-/m1/s1