[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)CSC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)CSC2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C23H25N3O3S/c1-4-15(2)17-9-5-6-10-18(17)26-23(28)16(3)29-22(27)14-30-21-13-24-19-11-7-8-12-20(19)25-21/h5-13,15-16H,4,14H2,1-3H3,(H,26,28)