[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 5-methylthiophene-2-carboxylate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 5-methylthiophene-2-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 5-methylthiophene-2-carboxylate CAS Name: 5-methyl-2-thiophenecarboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate Traditional Name: 5-methylthiophene-2-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC=C(S1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

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