(2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (2-anilinothiazol-4-yl)methyl 2-(5-methyl-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 2-(5-methyl-1,3-dioxo-2-isoindolyl)propanoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 2-(1,3-diketo-5-methyl-isoindolin-2-yl)propionic acid (2-anilinothiazol-4-yl)methyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)C(C)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)C(C)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O4S/c1-13-8-9-17-18(10-13)20(27)25(19(17)26)14(2)21(28)29-11-16-12-30-22(24-16)23-15-6-4-3-5-7-15/h3-10,12,14H,11H2,1-2H3,(H,23,24)