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

Systemtic Name: methyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCC3=CC=CC=C3C2)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCC3=CC=CC=C3C2)C(=O)N(C)C

InChI

InChI=1S/C21H25N3O4S/c1-13-17(21(27)28-4)19(29-18(13)20(26)23(2)3)22-16(25)12-24-10-9-14-7-5-6-8-15(14)11-24/h5-8H,9-12H2,1-4H3,(H,22,25)