(4-benzamidothiolan-3-yl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: (4-benzamidothiolan-3-yl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (4-benzamidotetrahydrothiophen-3-yl) 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid (4-benzamido-3-thiolanyl) ester IUPAC Name: (4-benzamidothiolan-3-yl) 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid (4-benzamidotetrahydrothiophen-3-yl) ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C(CS1)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O5S/c26-20(11-6-12-25-22(28)16-9-4-5-10-17(16)23(25)29)30-19-14-31-13-18(19)24-21(27)15-7-2-1-3-8-15/h1-5,7-10,18-19H,6,11-14H2,(H,24,27)