[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C20H25N3O3S/c24-18(22-15-8-4-2-1-3-5-9-15)13-26-20(25)14-27-19-12-21-16-10-6-7-11-17(16)23-19/h6-7,10-12,15H,1-5,8-9,13-14H2,(H,22,24)