ethyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCC3=CC=CC=C3C2)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCC3=CC=CC=C3C2)C(=O)OCC

InChI

InChI=1S/C20H24N2O3S/c1-3-16-11-17(20(24)25-4-2)19(26-16)21-18(23)13-22-10-9-14-7-5-6-8-15(14)12-22/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,21,23)