methyl 5-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 5-[[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=C(S3)C(=O)OC

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=C(S3)C(=O)OC

InChI

InChI=1S/C19H18N2O4S/c1-12(22)21-10-9-13-5-3-4-6-14(13)15(21)11-17(23)20-18-8-7-16(26-18)19(24)25-2/h3-10,15H,11H2,1-2H3,(H,20,23)