ethyl 2-[2-[(8-bromanyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(8-bromanyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(8-bromo-5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H22BrN5O3S2 MolecularWeight: 560.48648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(C5=C(N4C)C=CC(=C5)Br)N=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(C5=C(N4C)C=CC(=C5)Br)N=N3

InChI

InChI=1S/C23H22BrN5O3S2/c1-3-32-22(31)18-13-6-4-5-7-16(13)34-21(18)25-17(30)11-33-23-26-20-19(27-28-23)14-10-12(24)8-9-15(14)29(20)2/h8-10H,3-7,11H2,1-2H3,(H,25,30)