[2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-keto-2-[methyl-(4-methylcyclohexyl)amino]ethyl] ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C)C(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CC1CCC(CC1)N(C)C(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C20H25N3O3S/c1-14-7-9-15(10-8-14)23(2)19(24)12-26-20(25)13-27-18-11-21-16-5-3-4-6-17(16)22-18/h3-6,11,14-15H,7-10,12-13H2,1-2H3