methylsulfanylmethyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: methylsulfanylmethyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: methylsulfanylmethyl 3-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)butanoic acid (methylthio)methyl ester IUPAC Name: methylsulfanylmethyl 3-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 3-phthalimidobutyric acid (methylthio)methyl ester Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCSC)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(CC(=O)OCSC)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H15NO4S/c1-9(7-12(16)19-8-20-2)15-13(17)10-5-3-4-6-11(10)14(15)18/h3-6,9H,7-8H2,1-2H3