methyl 3-[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C16H21ClN2O5S2 MolecularWeight: 420.93134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O5S2/c1-24-16(21)6-9-25-11-15(20)18-14-10-12(4-5-13(14)17)26(22,23)19-7-2-3-8-19/h4-5,10H,2-3,6-9,11H2,1H3,(H,18,20)