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

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C22H16N2O3S2 MolecularWeight: 420.50404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C22H16N2O3S2/c25-21(13-27-22(26)15-10-11-17-20(12-15)28-14-23-17)24-18-8-4-5-9-19(18)29-16-6-2-1-3-7-16/h1-12,14H,13H2,(H,24,25)