ethyl 2-[[4-cyano-1-(phenylmethyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[4-cyano-1-(phenylmethyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[(1-benzyl-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate CAS Name: 2-[[4-cyano-1-(phenylmethyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1-benzyl-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate Traditional Name: 2-[(1-benzyl-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetic acid ethyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C2CCCCC2=C1C#N)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC(=C2CCCCC2=C1C#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2S/c1-2-25-20(24)14-26-21-18(13-22)16-10-6-7-11-17(16)19(23-21)12-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-12,14H2,1H3