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

Systemtic Name: O1-methyl O3-prop-2-enyl 5-[(4-ethanoylsulfanylpyrrolidin-2-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: O3-allyl O1-methyl 5-[(4-acetylsulfanylpyrrolidine-2-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[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-[(4-acetylsulfanylpyrrolidine-2-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(acetylthio)prolyl]amino]benzene-1,3-dicarboxylic acid O3-allyl ester O1-methyl ester Formula: C19H22N2O6S MolecularWeight: 406.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(NC1)C(=O)NC2=CC(=CC(=C2)C(=O)OCC=C)C(=O)OC

Isomeric SMILES

CC(=O)SC1CC(NC1)C(=O)NC2=CC(=CC(=C2)C(=O)OCC=C)C(=O)OC

InChI

InChI=1S/C19H22N2O6S/c1-4-5-27-19(25)13-6-12(18(24)26-3)7-14(8-13)21-17(23)16-9-15(10-20-16)28-11(2)22/h4,6-8,15-16,20H,1,5,9-10H2,2-3H3,(H,21,23)