O1-methyl O3-prop-2-enyl 5-[(1-ethanoyl-4-ethanoylsulfanyl-pyrrolidin-2-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-prop-2-enyl 5-[(1-ethanoyl-4-ethanoylsulfanyl-pyrrolidin-2-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: O3-allyl O1-methyl 5-[(1-acetyl-4-acetylsulfanyl-pyrrolidine-2-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-acetyl-4-(acetylthio)-2-pyrrolidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid O1-methyl ester O3-prop-2-enyl ester IUPAC Name: 1-O-methyl 3-O-prop-2-enyl 5-[(1-acetyl-4-acetylsulfanylpyrrolidine-2-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-acetyl-4-(acetylthio)prolyl]amino]benzene-1,3-dicarboxylic acid O3-allyl ester O1-methyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NC2=CC(=CC(=C2)C(=O)OCC=C)C(=O)OC)SC(=O)C

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NC2=CC(=CC(=C2)C(=O)OCC=C)C(=O)OC)SC(=O)C

InChI

InChI=1S/C21H24N2O7S/c1-5-6-30-21(28)15-7-14(20(27)29-4)8-16(9-15)22-19(26)18-10-17(31-13(3)25)11-23(18)12(2)24/h5,7-9,17-18H,1,6,10-11H2,2-4H3,(H,22,26)