2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]cyclopentyl]-2-sulfanyl-ethanoic acid; ethanal

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]cyclopentyl]-2-sulfanyl-ethanoic acid; ethanal Openeye Name: acetaldehyde; 2-[3-(1,3-dioxoisoindolin-2-yl)cyclopentyl]-2-sulfanyl-acetic acid CAS Name: acetaldehyde; 2-[3-(1,3-dioxo-2-isoindolyl)cyclopentyl]-2-mercaptoacetic acid IUPAC Name: acetaldehyde; 2-[3-(1,3-dioxoisoindol-2-yl)cyclopentyl]-2-sulfanylacetic acid Traditional Name: acetaldehyde; 2-mercapto-2-(3-phthalimidocyclopentyl)acetic acid Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

CC=O.C1CC(CC1C(C(=O)O)S)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC=O.C1CC(CC1C(C(=O)O)S)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C15H15NO4S.C2H4O/c17-13-10-3-1-2-4-11(10)14(18)16(13)9-6-5-8(7-9)12(21)15(19)20;1-2-3/h1-4,8-9,12,21H,5-7H2,(H,19,20);2H,1H3