ethyl 4-methyl-2-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)butyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)butanoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C20H20N6O3S2 MolecularWeight: 456.5412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC3=C(C4=CC=CC=C4N3)N=N2

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC3=C(C4=CC=CC=C4N3)N=N2

InChI

InChI=1S/C20H20N6O3S2/c1-4-13(17(27)24-19-21-10(3)15(31-19)18(28)29-5-2)30-20-23-16-14(25-26-20)11-8-6-7-9-12(11)22-16/h6-9,13H,4-5H2,1-3H3,(H,21,24,27)(H,22,23,26)