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

Systemtic Name: [2-(diphenylamino)-2-oxidanylidene-ethyl] 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoate Openeye Name: [2-oxo-2-(N-phenylanilino)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-oxo-2-(N-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-phenylanilino)ethyl] 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-keto-2-(N-phenylanilino)ethyl] ester Formula: C27H23N5O3S MolecularWeight: 497.56822

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O3S/c1-2-31-22-16-10-9-15-21(22)25-26(31)28-27(30-29-25)36-18-24(34)35-17-23(33)32(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3