[1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid (2-cumidino-2-keto-1-methyl-ethyl) ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-14(2)16-8-10-17(11-9-16)24-22(27)15(3)28-21(26)13-29-20-12-23-18-6-4-5-7-19(18)25-20/h4-12,14-15H,13H2,1-3H3,(H,24,27)