methyl 3-[4-(2-bromoethyl)-2-[cyclohex-2-en-1-yl(oxidanyl)methyl]-3-methyl-3-oxidanyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylsulfanylpropanoate

Systemtic Name: methyl 3-[4-(2-bromoethyl)-2-[cyclohex-2-en-1-yl(oxidanyl)methyl]-3-methyl-3-oxidanyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylsulfanylpropanoate Openeye Name: methyl 3-[4-(2-bromoethyl)-2-[cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-3-methyl-5-oxo-pyrrolidine-2-carbonyl]sulfanylpropanoate CAS Name: 3-[[[4-(2-bromoethyl)-2-[1-cyclohex-2-enyl(hydroxy)methyl]-3-hydroxy-3-methyl-5-oxo-2-pyrrolidinyl]-oxomethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2-bromoethyl)-2-[cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbonyl]sulfanylpropanoate Traditional Name: 3-[[4-(2-bromoethyl)-2-[cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-5-keto-3-methyl-prolyl]thio]propionic acid methyl ester Formula: C19H28BrNO6S MolecularWeight: 478.39772

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)NC1(C(C2CCCC=C2)O)C(=O)SCCC(=O)OC)CCBr)O

Isomeric SMILES

CC1(C(C(=O)NC1(C(C2CCCC=C2)O)C(=O)SCCC(=O)OC)CCBr)O

InChI

InChI=1S/C19H28BrNO6S/c1-18(26)13(8-10-20)16(24)21-19(18,15(23)12-6-4-3-5-7-12)17(25)28-11-9-14(22)27-2/h4,6,12-13,15,23,26H,3,5,7-11H2,1-2H3,(H,21,24)