[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C22H20N4O3S2/c1-2-26-21(18-11-6-12-30-18)24-25-22(26)31-14-20(28)29-13-19(27)23-17-10-5-8-15-7-3-4-9-16(15)17/h3-12H,2,13-14H2,1H3,(H,23,27)