2-[2-(5-chloranylthiophen-2-yl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile

Systemtic Name: 2-[2-(5-chloranylthiophen-2-yl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile Openeye Name: 2-[2-(5-chlorothiophene-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile CAS Name: 2-[2-[(5-chloro-2-thiophenyl)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile IUPAC Name: 2-[2-(5-chlorothiophene-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Traditional Name: 2-[2-(5-chlorothiophene-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(S3)Cl)CC#N)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(S3)Cl)CC#N)OC

InChI

InChI=1S/C18H17ClN2O3S/c1-23-14-9-11-6-8-21(18(22)16-3-4-17(19)25-16)13(5-7-20)12(11)10-15(14)24-2/h3-4,9-10,13H,5-6,8H2,1-2H3