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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione Openeye Name: 1-(5-chloro-2-thienyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione CAS Name: 1-(5-chloro-2-thiophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione IUPAC Name: 1-(5-chlorothiophen-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione Traditional Name: 1-(5-chloro-2-thienyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione Formula: C17H16ClNO2S MolecularWeight: 333.83244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H16ClNO2S/c18-16-7-6-15(22-16)14(20)5-8-17(21)19-10-9-12-3-1-2-4-13(12)11-19/h1-4,6-7H,5,8-11H2