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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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