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

Systemtic Name: ethyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H30N2O3S/c1-4-29-24(28)21-19-10-9-15(2)13-20(19)30-23(21)25-22(27)16(3)26-12-11-17-7-5-6-8-18(17)14-26/h5-8,15-16H,4,9-14H2,1-3H3,(H,25,27)