[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C21H21N3O4S/c1-27-16-8-6-15(7-9-16)10-11-22-19(25)13-28-21(26)14-29-20-12-23-17-4-2-3-5-18(17)24-20/h2-9,12H,10-11,13-14H2,1H3,(H,22,25)