methyl 2-[2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=CC=CC=C3C(=O)OC)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=CC=CC=C3C(=O)OC)C#N

InChI

InChI=1S/C22H23N3O3S/c1-3-18-15-9-5-4-8-14(15)17(12-23)21(25-18)29-13-20(26)24-19-11-7-6-10-16(19)22(27)28-2/h6-7,10-11H,3-5,8-9,13H2,1-2H3,(H,24,26)