methyl 2-[2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[C@@H]2C3=CC=CC=C3C=CN2C(=O)C)C

InChI

InChI=1S/C21H22N2O4S/c1-12-13(2)28-20(19(12)21(26)27-4)22-18(25)11-17-16-8-6-5-7-15(16)9-10-23(17)14(3)24/h5-10,17H,11H2,1-4H3,(H,22,25)/t17-/m1/s1