(2-acetamido-1,3-thiazol-4-yl)methyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 3-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)benzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-phthalimidobenzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C21H15N3O5S MolecularWeight: 421.4259

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H15N3O5S/c1-12(25)22-21-23-14(11-30-21)10-29-20(28)13-5-4-6-15(9-13)24-18(26)16-7-2-3-8-17(16)19(24)27/h2-9,11H,10H2,1H3,(H,22,23,25)