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

Systemtic Name: ethyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H15N3O5S MolecularWeight: 409.4152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O5S/c1-2-28-19(27)11-7-8-14-15(9-11)29-20(21-14)22-16(24)10-23-17(25)12-5-3-4-6-13(12)18(23)26/h3-9H,2,10H2,1H3,(H,21,22,24)