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

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] thiophene-2-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] thiophene-2-carboxylate CAS Name: 2-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] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC=CS3

InChI

InChI=1S/C17H17NO3S/c1-12(21-17(20)15-7-4-10-22-15)16(19)18-9-8-13-5-2-3-6-14(13)11-18/h2-7,10,12H,8-9,11H2,1H3