4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-ethylsulfanylbenzoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-ethylsulfanylbenzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid 4-phthalimidobutyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21NO4S/c1-2-27-18-12-6-5-11-17(18)21(25)26-14-8-7-13-22-19(23)15-9-3-4-10-16(15)20(22)24/h3-6,9-12H,2,7-8,13-14H2,1H3