2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(5-nitrothiophen-2-yl)ethanone

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(5-nitrothiophen-2-yl)ethanone Openeye Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(5-nitro-2-thienyl)ethanone CAS Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(5-nitro-2-thiophenyl)ethanone IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(5-nitrothiophen-2-yl)ethanone Traditional Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-(5-nitro-2-thienyl)ethanone Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN=C2CC(=O)C3=CC=C(S3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN=C2CC(=O)C3=CC=C(S3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H16N2O5S/c1-23-14-7-10-5-6-18-12(11(10)8-15(14)24-2)9-13(20)16-3-4-17(25-16)19(21)22/h3-4,7-8H,5-6,9H2,1-2H3