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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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