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

Systemtic Name: methyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-phthalimidoacetyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H13N3O5S MolecularWeight: 395.38862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O5S/c1-27-18(26)10-6-7-13-14(8-10)28-19(20-13)21-15(23)9-22-16(24)11-4-2-3-5-12(11)17(22)25/h2-8H,9H2,1H3,(H,20,21,23)