[2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(3,5-dicarbamoylanilino)-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(3,5-dicarbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(3,5-dicarbamoylanilino)-2-keto-ethyl] ester Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)OCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)OCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N)SC=N2

InChI

InChI=1S/C18H14N4O5S/c19-16(24)10-3-11(17(20)25)5-12(4-10)22-15(23)7-27-18(26)9-1-2-13-14(6-9)28-8-21-13/h1-6,8H,7H2,(H2,19,24)(H2,20,25)(H,22,23)