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

Systemtic Name: O1-methyl O3-prop-2-enyl 5-[(4-ethanoylsulfanyl-1-phenoxycarbonyl-pyrrolidin-2-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: O3-allyl O1-methyl 5-[(4-acetylsulfanyl-1-phenoxycarbonyl-pyrrolidine-2-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(acetylthio)-1-[oxo(phenoxy)methyl]-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-phenoxycarbonylpyrrolidine-2-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(acetylthio)-1-carbophenoxy-prolyl]amino]benzene-1,3-dicarboxylic acid O3-allyl ester O1-methyl ester Formula: C26H26N2O8S MolecularWeight: 526.55824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OC2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)C(=O)OCC=C)C(=O)OC

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OC2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)C(=O)OCC=C)C(=O)OC

InChI

InChI=1S/C26H26N2O8S/c1-4-10-35-25(32)18-11-17(24(31)34-3)12-19(13-18)27-23(30)22-14-21(37-16(2)29)15-28(22)26(33)36-20-8-6-5-7-9-20/h4-9,11-13,21-22H,1,10,14-15H2,2-3H3,(H,27,30)