methyl 2-[(5-chloranyl-1-benzothiophen-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate

Systemtic Name: methyl 2-[(5-chloranyl-1-benzothiophen-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate Openeye Name: methyl 2-[(5-chlorobenzothiophen-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate CAS Name: 2-[(5-chloro-1-benzothiophen-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-1-benzothiophen-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate Traditional Name: 2-[(5-chlorobenzothiophen-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid methyl ester Formula: C20H18ClNO2S MolecularWeight: 371.88042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CN(CCC2=CC=C1)CC3=CSC4=C3C=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=C2CN(CCC2=CC=C1)CC3=CSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C20H18ClNO2S/c1-24-20(23)16-4-2-3-13-7-8-22(11-18(13)16)10-14-12-25-19-6-5-15(21)9-17(14)19/h2-6,9,12H,7-8,10-11H2,1H3