1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-methyl-2-thienyl)butane-1,4-dione CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-methyl-2-thiophenyl)butane-1,4-dione IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-methyl-2-thienyl)butane-1,4-dione Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO2S/c1-13-6-8-17(22-13)16(20)7-9-18(21)19-11-10-14-4-2-3-5-15(14)12-19/h2-6,8H,7,9-12H2,1H3