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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

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