[1-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [1-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl] ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)OC(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)OC(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H26N2O4S/c1-16-7-6-8-17(2)24(16)27-22(28)14-26-25(30)18(3)31-23(29)15-32-21-12-11-19-9-4-5-10-20(19)13-21/h4-13,18H,14-15H2,1-3H3,(H,26,30)(H,27,28)