[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)OCC(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)OCC(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C18H23N3O3S/c1-12-16(13(2)21(3)20-12)9-10-18(23)24-11-17(22)19-14-5-7-15(25-4)8-6-14/h5-8H,9-11H2,1-4H3,(H,19,22)