3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-2-methyl-4-sulfanylidene-pyrrolidine-1-carboxylic acid

Systemtic Name: 3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-2-methyl-4-sulfanylidene-pyrrolidine-1-carboxylic acid Openeye Name: 3-[3-(1,3-dioxoisoindolin-2-yl)propyl]-2-methyl-4-thioxo-pyrrolidine-1-carboxylic acid CAS Name: 3-[3-(1,3-dioxo-2-isoindolyl)propyl]-2-methyl-4-sulfanylidene-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methyl-4-sulfanylidenepyrrolidine-1-carboxylic acid Traditional Name: 2-methyl-3-(3-phthalimidopropyl)-4-thioxo-pyrrolidine-1-carboxylic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=S)CN1C(=O)O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1C(C(=S)CN1C(=O)O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H18N2O4S/c1-10-11(14(24)9-19(10)17(22)23)7-4-8-18-15(20)12-5-2-3-6-13(12)16(18)21/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,22,23)