ethyl 2-[1,3-bis(oxidanylidene)isoindol-4-yl]sulfanyl-3-chloranyl-propanoate

Systemtic Name: ethyl 2-[1,3-bis(oxidanylidene)isoindol-4-yl]sulfanyl-3-chloranyl-propanoate Openeye Name: ethyl 3-chloro-2-(1,3-dioxoisoindolin-4-yl)sulfanyl-propanoate CAS Name: 3-chloro-2-[(1,3-dioxo-4-isoindolyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-chloro-2-(1,3-dioxoisoindol-4-yl)sulfanylpropanoate Traditional Name: 3-chloro-2-[(1,3-diketoisoindolin-4-yl)thio]propionic acid ethyl ester Formula: C13H12ClNO4S MolecularWeight: 313.75668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCl)SC1=CC=CC2=C1C(=O)NC2=O

Isomeric SMILES

CCOC(=O)C(CCl)SC1=CC=CC2=C1C(=O)NC2=O

InChI

InChI=1S/C13H12ClNO4S/c1-2-19-13(18)9(6-14)20-8-5-3-4-7-10(8)12(17)15-11(7)16/h3-5,9H,2,6H2,1H3,(H,15,16,17)