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

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoate Openeye Name: [2-(1-naphthylamino)-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-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-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-keto-2-(1-naphthylamino)ethyl] ester Formula: C25H21N5O3S MolecularWeight: 471.53094

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCC(=O)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCC(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H21N5O3S/c1-2-30-20-13-6-5-11-18(20)23-24(30)27-25(29-28-23)34-15-22(32)33-14-21(31)26-19-12-7-9-16-8-3-4-10-17(16)19/h3-13H,2,14-15H2,1H3,(H,26,31)