dimethyl 5-[3-(2-hydroxyethylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-(2-hydroxyethylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(2-hydroxyethylsulfanyl)-2,5-dioxo-pyrrolidin-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[3-(2-hydroxyethylthio)-2,5-dioxo-1-pyrrolidinyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(2-hydroxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(2-hydroxyethylthio)-2,5-diketo-pyrrolidino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H17NO7S MolecularWeight: 367.37368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)N2C(=O)CC(C2=O)SCCO)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)N2C(=O)CC(C2=O)SCCO)C(=O)OC

InChI

InChI=1S/C16H17NO7S/c1-23-15(21)9-5-10(16(22)24-2)7-11(6-9)17-13(19)8-12(14(17)20)25-4-3-18/h5-7,12,18H,3-4,8H2,1-2H3