ethyl 2-[(3-quinolin-5-ylsulfanylquinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-quinolin-5-ylsulfanylquinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(5-quinolylsulfanyl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(5-quinolinylthio)-2-quinoxalinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-quinolin-5-ylsulfanylquinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(5-quinolylthio)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H24N4O2S2 MolecularWeight: 512.64576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3SC5=CC=CC6=C5C=CC=N6

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3SC5=CC=CC6=C5C=CC=N6

InChI

InChI=1S/C28H24N4O2S2/c1-2-34-28(33)24-18-9-3-6-14-23(18)35-26(24)32-25-27(31-21-12-5-4-11-20(21)30-25)36-22-15-7-13-19-17(22)10-8-16-29-19/h4-5,7-8,10-13,15-16H,2-3,6,9,14H2,1H3,(H,30,32)