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

Systemtic Name: O1-methyl O3-prop-2-enyl 5-[[1-(2-azanyl-2-oxidanylidene-ethyl)-4-ethanoylsulfanyl-pyrrolidin-2-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: O3-allyl O1-methyl 5-[[4-acetylsulfanyl-1-(2-amino-2-oxo-ethyl)pyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(acetylthio)-1-(2-amino-2-oxoethyl)-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-acetylsulfanyl-1-(2-amino-2-oxoethyl)pyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(acetylthio)-1-(2-amino-2-keto-ethyl)prolyl]amino]benzene-1,3-dicarboxylic acid O3-allyl ester O1-methyl ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)CC(=O)N)C(=O)NC2=CC(=CC(=C2)C(=O)OCC=C)C(=O)OC

Isomeric SMILES

CC(=O)SC1CC(N(C1)CC(=O)N)C(=O)NC2=CC(=CC(=C2)C(=O)OCC=C)C(=O)OC

InChI

InChI=1S/C21H25N3O7S/c1-4-5-31-21(29)14-6-13(20(28)30-3)7-15(8-14)23-19(27)17-9-16(32-12(2)25)10-24(17)11-18(22)26/h4,6-8,16-17H,1,5,9-11H2,2-3H3,(H2,22,26)(H,23,27)