methyl 2-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC=CC=C2C1CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CN1CCC2=CC=CC=C2C1CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C22H26N2O3S/c1-24-12-11-14-7-3-4-8-15(14)17(24)13-19(25)23-21-20(22(26)27-2)16-9-5-6-10-18(16)28-21/h3-4,7-8,17H,5-6,9-13H2,1-2H3,(H,23,25)