[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3)C

InChI

InChI=1S/C22H26N2O3S/c1-16-5-10-20(17(2)13-16)28-15-22(26)27-14-21(25)23-18-6-8-19(9-7-18)24-11-3-4-12-24/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,23,25)