[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)CSC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CC(C(=O)NC1CCCC1)OC(=O)CSC2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C18H21N3O3S/c1-12(18(23)20-13-6-2-3-7-13)24-17(22)11-25-16-10-19-14-8-4-5-9-15(14)21-16/h4-5,8-10,12-13H,2-3,6-7,11H2,1H3,(H,20,23)