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

Systemtic Name: 2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile Openeye Name: 2-[2-(3-chlorobenzothiophene-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile CAS Name: 2-[2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile IUPAC Name: 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Traditional Name: 2-[2-(3-chlorobenzothiophene-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Formula: C22H19ClN2O3S MolecularWeight: 426.91586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=C(C4=CC=CC=C4S3)Cl)CC#N)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=C(C4=CC=CC=C4S3)Cl)CC#N)OC

InChI

InChI=1S/C22H19ClN2O3S/c1-27-17-11-13-8-10-25(16(7-9-24)15(13)12-18(17)28-2)22(26)21-20(23)14-5-3-4-6-19(14)29-21/h3-6,11-12,16H,7-8,10H2,1-2H3