ethyl 5-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C24H22N2O4S MolecularWeight: 434.50748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C24H22N2O4S/c1-3-30-24(29)22-13-17-12-18(8-9-21(17)31-22)25-23(28)14-20-19-7-5-4-6-16(19)10-11-26(20)15(2)27/h4-13,20H,3,14H2,1-2H3,(H,25,28)