methyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-4-(2,5-dimethylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-4-(2,5-dimethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-(2,5-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-4-(2,5-dimethylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-(2,5-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-(2,5-dimethylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H26N2O3S/c1-16-8-9-17(2)20(12-16)21-15-31-24(23(21)25(29)30-3)26-22(28)14-27-11-10-18-6-4-5-7-19(18)13-27/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,26,28)