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

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C22H26N2O4S/c1-2-27-19-9-11-20(12-10-19)29-16-22(26)28-15-21(25)23-17-5-7-18(8-6-17)24-13-3-4-14-24/h5-12H,2-4,13-16H2,1H3,(H,23,25)