ethyl 2-[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanylacetate CAS Name: 2-[[(2R)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]sulfanylacetate Traditional Name: 2-[[(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]thio]acetic acid ethyl ester Formula: C17H24N2O5S2 MolecularWeight: 400.51286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCOC(=O)CS[C@H](C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C17H24N2O5S2/c1-3-24-16(20)12-25-13(2)17(21)18-14-6-8-15(9-7-14)26(22,23)19-10-4-5-11-19/h6-9,13H,3-5,10-12H2,1-2H3,(H,18,21)/t13-/m1/s1