ethyl 2-[[3-(naphthalen-1-ylmethylsulfanyl)quinoxalin-2-yl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(naphthalen-1-ylmethylsulfanyl)quinoxalin-2-yl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(1-naphthylmethylsulfanyl)quinoxalin-2-yl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(1-naphthalenylmethylthio)-2-quinoxalinyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(naphthalen-1-ylmethylsulfanyl)quinoxalin-2-yl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(1-naphthylmethylthio)quinoxalin-2-yl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C32H25N3O2S2 MolecularWeight: 547.6898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC3=NC4=CC=CC=C4N=C3SCC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC3=NC4=CC=CC=C4N=C3SCC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C32H25N3O2S2/c1-2-37-32(36)28-25(22-11-4-3-5-12-22)20-39-30(28)35-29-31(34-27-18-9-8-17-26(27)33-29)38-19-23-15-10-14-21-13-6-7-16-24(21)23/h3-18,20H,2,19H2,1H3,(H,33,35)