ethyl 2-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoylamino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: ethyl 2-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoylamino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 2-[[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-[[2-[(5-ethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C24H27N6O3S2+ MolecularWeight: 511.63958

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=C(C5=C(S4)C[NH+](CC5)C)C(=O)OCC

Isomeric SMILES

CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=C(C5=C(S4)C[NH+](CC5)C)C(=O)OCC

InChI

InChI=1S/C24H26N6O3S2/c1-4-30-16-9-7-6-8-14(16)20-21(30)26-24(28-27-20)34-13-18(31)25-22-19(23(32)33-5-2)15-10-11-29(3)12-17(15)35-22/h6-9H,4-5,10-13H2,1-3H3,(H,25,31)/p+1