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

Systemtic Name: ethyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H24N2O3S/c1-2-29-24(28)23-20(14-21(30-23)18-9-4-3-5-10-18)25-22(27)16-26-13-12-17-8-6-7-11-19(17)15-26/h3-11,14H,2,12-13,15-16H2,1H3,(H,25,27)