4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1,3-dimethyl-5-thieno[2,3-c]pyrazolecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid 4-phthalimidobutyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C20H19N3O4S/c1-12-15-11-16(28-19(15)22(2)21-12)20(26)27-10-6-5-9-23-17(24)13-7-3-4-8-14(13)18(23)25/h3-4,7-8,11H,5-6,9-10H2,1-2H3