[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2)NC(=O)C)C

InChI

InChI=1S/C21H24N2O4S/c1-12-14(3)28-19(22-15(4)24)18(12)21(26)27-13(2)20(25)23-10-9-16-7-5-6-8-17(16)11-23/h5-8,13H,9-11H2,1-4H3,(H,22,24)