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

Systemtic Name: ethyl 4-cyclopropyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-cyclopropyl-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-cyclopropyl-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H24N2O3S/c1-2-26-21(25)19-17(15-7-8-15)13-27-20(19)22-18(24)12-23-10-9-14-5-3-4-6-16(14)11-23/h3-6,13,15H,2,7-12H2,1H3,(H,22,24)