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

Systemtic Name: methyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H22N2O3S/c1-28-23(27)21-19(17-8-3-2-4-9-17)15-29-22(21)24-20(26)14-25-12-11-16-7-5-6-10-18(16)13-25/h2-10,15H,11-14H2,1H3,(H,24,26)