bis[2,5-bis(oxidanylidene)pyrrolidin-3-yl] 2-[(E)-3-phenylprop-2-enyl]sulfanylbutanedioate

Systemtic Name: bis[2,5-bis(oxidanylidene)pyrrolidin-3-yl] 2-[(E)-3-phenylprop-2-enyl]sulfanylbutanedioate Openeye Name: bis(2,5-dioxopyrrolidin-3-yl) 2-[(E)-cinnamyl]sulfanylbutanedioate CAS Name: 2-[[(E)-3-phenylprop-2-enyl]thio]butanedioic acid bis(2,5-dioxo-3-pyrrolidinyl) ester IUPAC Name: bis(2,5-dioxopyrrolidin-3-yl) 2-[(E)-3-phenylprop-2-enyl]sulfanylbutanedioate Traditional Name: 2-[[(E)-cinnamyl]thio]succinic acid bis(2,5-diketopyrrolidin-3-yl) ester Formula: C21H20N2O8S MolecularWeight: 460.4571

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC1=O)OC(=O)CC(C(=O)OC2CC(=O)NC2=O)SCC=CC3=CC=CC=C3

Isomeric SMILES

C1C(C(=O)NC1=O)OC(=O)CC(C(=O)OC2CC(=O)NC2=O)SC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O8S/c24-16-9-13(19(27)22-16)30-18(26)11-15(21(29)31-14-10-17(25)23-20(14)28)32-8-4-7-12-5-2-1-3-6-12/h1-7,13-15H,8-11H2,(H,22,24,27)(H,23,25,28)/b7-4+