methyl 2-[4-(5-chloranyl-2-quinolin-2-yl-1H-indol-3-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(5-chloranyl-2-quinolin-2-yl-1H-indol-3-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[4-[5-chloro-2-(2-quinolyl)-1H-indol-3-yl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-[5-chloro-2-(2-quinolinyl)-1H-indol-3-yl]-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-[5-chloro-2-(2-quinolyl)-1H-indol-3-yl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C31H28ClN3O3S MolecularWeight: 558.09032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCC3=C(NC4=C3C=C(C=C4)Cl)C5=NC6=CC=CC=C6C=C5

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCC3=C(NC4=C3C=C(C=C4)Cl)C5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C31H28ClN3O3S/c1-38-31(37)28-21-8-3-5-11-26(21)39-30(28)35-27(36)12-6-9-20-22-17-19(32)14-16-24(22)34-29(20)25-15-13-18-7-2-4-10-23(18)33-25/h2,4,7,10,13-17,34H,3,5-6,8-9,11-12H2,1H3,(H,35,36)