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

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c24-19(21-15-3-5-16(6-4-15)22-11-1-2-12-22)13-28-20(25)14-29-18-9-7-17(8-10-18)23(26)27/h3-10H,1-2,11-14H2,(H,21,24)