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

Systemtic Name: [2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoate Openeye Name: [2-(4-chloroanilino)-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-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloroanilino)-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-chloroanilino)-2-keto-ethyl] ester Formula: C21H18ClN5O3S MolecularWeight: 455.91732

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O3S/c1-2-27-16-6-4-3-5-15(16)19-20(27)24-21(26-25-19)31-12-18(29)30-11-17(28)23-14-9-7-13(22)8-10-14/h3-10H,2,11-12H2,1H3,(H,23,28)