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

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-14(2)23-18(9-10-21-23)22-19(24)12-26-20(25)13-27-17-8-7-15-5-3-4-6-16(15)11-17/h3-11,14H,12-13H2,1-2H3,(H,22,24)