ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(4,8-dimethyl-2-quinolyl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H26N2O3S2 MolecularWeight: 454.60484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C24H26N2O3S2/c1-4-29-24(28)21-17-9-5-6-11-18(17)31-23(21)25-19(27)13-30-20-12-15(3)16-10-7-8-14(2)22(16)26-20/h7-8,10,12H,4-6,9,11,13H2,1-3H3,(H,25,27)