[1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)OC(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C(C)OC(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H23N3O3S/c1-13-20(14(2)24(4)23-13)22-21(26)15(3)27-19(25)12-28-18-10-9-16-7-5-6-8-17(16)11-18/h5-11,15H,12H2,1-4H3,(H,22,26)