methyl 2-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetyl]amino]acetic acid methyl ester Formula: C14H19N3O5S2 MolecularWeight: 373.44776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C14H19N3O5S2/c1-22-14(19)9-15-12(18)10-23-13-5-4-11(8-16-13)24(20,21)17-6-2-3-7-17/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,15,18)