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

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-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] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C21H25NO3S/c1-4-7-17-12-19(26-15(17)3)21(24)25-14(2)20(23)22-11-10-16-8-5-6-9-18(16)13-22/h5-6,8-9,12,14H,4,7,10-11,13H2,1-3H3