ethyl 2-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)ethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)acetyl]amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C22H17N5O3S2 MolecularWeight: 463.53208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3

InChI

InChI=1S/C22H17N5O3S2/c1-2-30-21(29)17-13-8-4-6-10-15(13)32-20(17)24-16(28)11-31-22-25-19-18(26-27-22)12-7-3-5-9-14(12)23-19/h3-10H,2,11H2,1H3,(H,24,28)(H,23,25,27)