[1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-naphthalen-2-ylsulfanylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H23N3O3S/c1-14(2)24-19(10-11-22-24)23-21(26)15(3)27-20(25)13-28-18-9-8-16-6-4-5-7-17(16)12-18/h4-12,14-15H,13H2,1-3H3,(H,23,26)