[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoate

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoate Openeye Name: [2-(4-acetylanilino)-2-oxo-ethyl] 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid [2-(4-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylanilino)-2-oxoethyl] 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-ethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetic acid [2-(4-acetylanilino)-2-keto-ethyl] ester Formula: C23H21N5O4S MolecularWeight: 463.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C23H21N5O4S/c1-3-28-18-7-5-4-6-17(18)21-22(28)25-23(27-26-21)33-13-20(31)32-12-19(30)24-16-10-8-15(9-11-16)14(2)29/h4-11H,3,12-13H2,1-2H3,(H,24,30)