[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CCC2=CSC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CCC2=CSC=C2)OC

InChI

InChI=1S/C18H21NO5S/c1-22-15-5-3-14(9-16(15)23-2)10-19-17(20)11-24-18(21)6-4-13-7-8-25-12-13/h3,5,7-9,12H,4,6,10-11H2,1-2H3,(H,19,20)