ethyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(1,3-dioxoisoindolin-2-yl)acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-dioxoisoindol-2-yl)acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-(2-phthalimidoacetyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)S2)C

InChI

InChI=1S/C21H17N3O5S/c1-3-29-20(28)12-8-9-15-16(10-12)30-21(23(15)2)22-17(25)11-24-18(26)13-6-4-5-7-14(13)19(24)27/h4-10H,3,11H2,1-2H3