4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 1-methyl-4-(2-methylthiazol-4-yl)pyrrole-2-carboxylate CAS Name: 1-methyl-4-(2-methyl-4-thiazolyl)-2-pyrrolecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylate Traditional Name: 1-methyl-4-(2-methylthiazol-4-yl)pyrrole-2-carboxylic acid 4-phthalimidobutyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CN(C(=C2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=NC(=CS1)C2=CN(C(=C2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C22H21N3O4S/c1-14-23-18(13-30-14)15-11-19(24(2)12-15)22(28)29-10-6-5-9-25-20(26)16-7-3-4-8-17(16)21(25)27/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3