methyl 3-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanylpropanoate CAS Name: 3-[[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]thio]propionic acid methyl ester Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H22N2O5S2/c1-23-16(20)7-10-24-12-15(19)17-13-5-4-6-14(11-13)25(21,22)18-8-2-3-9-18/h4-6,11H,2-3,7-10,12H2,1H3,(H,17,19)