[2-(3-thiophen-2-ylpropanoyl)-3,4-dihydro-1H-isoquinolin-6-yl] 2,2-dimethylpropanoate

Systemtic Name: [2-(3-thiophen-2-ylpropanoyl)-3,4-dihydro-1H-isoquinolin-6-yl] 2,2-dimethylpropanoate Openeye Name: [2-[3-(2-thienyl)propanoyl]-3,4-dihydro-1H-isoquinolin-6-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-(1-oxo-3-thiophen-2-ylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl] ester IUPAC Name: [2-(3-thiophen-2-ylpropanoyl)-3,4-dihydro-1H-isoquinolin-6-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[3-(2-thienyl)propanoyl]-3,4-dihydro-1H-isoquinolin-6-yl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC2=C(CN(CC2)C(=O)CCC3=CC=CS3)C=C1

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC2=C(CN(CC2)C(=O)CCC3=CC=CS3)C=C1

InChI

InChI=1S/C21H25NO3S/c1-21(2,3)20(24)25-17-7-6-16-14-22(11-10-15(16)13-17)19(23)9-8-18-5-4-12-26-18/h4-7,12-13H,8-11,14H2,1-3H3