ethyl 2-[2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(8-methoxy-4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[(8-methoxy-4-methyl-2-quinolyl)thio]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H30N2O4S2 MolecularWeight: 498.6574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)SC3=NC4=C(C=CC=C4OC)C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)SC3=NC4=C(C=CC=C4OC)C(=C3)C

InChI

InChI=1S/C26H30N2O4S2/c1-5-19(33-21-14-15(3)16-11-9-12-18(31-4)23(16)27-21)24(29)28-25-22(26(30)32-6-2)17-10-7-8-13-20(17)34-25/h9,11-12,14,19H,5-8,10,13H2,1-4H3,(H,28,29)