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

Systemtic Name: ethyl 4-methyl-2-[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-oxobutyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-[(5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]butanoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C21H22N6O3S2 MolecularWeight: 470.56778

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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=C4N3C)N=N2

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC3=C(C4=CC=CC=C4N3C)N=N2

InChI

InChI=1S/C21H22N6O3S2/c1-5-14(18(28)24-20-22-11(3)16(32-20)19(29)30-6-2)31-21-23-17-15(25-26-21)12-9-7-8-10-13(12)27(17)4/h7-10,14H,5-6H2,1-4H3,(H,22,24,28)