ethyl 2-[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

InChI

InChI=1S/C16H21ClN2O5S2/c1-2-24-16(21)11-25-10-15(20)18-14-9-12(5-6-13(14)17)26(22,23)19-7-3-4-8-19/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,18,20)