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

Systemtic Name: O1-methyl O3-prop-2-enyl 5-[[4-ethanoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: O3-allyl O1-methyl 5-[[4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(acetylthio)-1-[(4-nitrophenyl)methoxy-oxomethyl]-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-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(acetylthio)-1-(4-nitrobenzyl)oxycarbonyl-prolyl]amino]benzene-1,3-dicarboxylic acid O3-allyl ester O1-methyl ester Formula: C27H27N3O10S MolecularWeight: 585.58238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC(=C3)C(=O)OCC=C)C(=O)OC

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC(=C3)C(=O)OCC=C)C(=O)OC

InChI

InChI=1S/C27H27N3O10S/c1-4-9-39-26(34)19-10-18(25(33)38-3)11-20(12-19)28-24(32)23-13-22(41-16(2)31)14-29(23)27(35)40-15-17-5-7-21(8-6-17)30(36)37/h4-8,10-12,22-23H,1,9,13-15H2,2-3H3,(H,28,32)