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

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H23N3O4S/c1-3-27-20(26)16-12(2)17(18(21)25)28-19(16)22-15(24)11-23-9-8-13-6-4-5-7-14(13)10-23/h4-7H,3,8-11H2,1-2H3,(H2,21,25)(H,22,24)