[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid phthalimidomethyl ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H16N2O4S/c1-13-10-18(22-17-9-5-4-6-14(13)17)28-11-19(24)27-12-23-20(25)15-7-2-3-8-16(15)21(23)26/h2-10H,11-12H2,1H3