ethyl 2-[(3-chloranyl-4-ethoxy-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(3-chloranyl-4-ethoxy-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(3-chloro-4-ethoxy-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3-chloro-4-ethoxyphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-4-ethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-chloro-4-ethoxy-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OCC)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OCC)Cl

InChI

InChI=1S/C19H17ClN2O4S/c1-3-25-15-8-6-11(9-13(15)20)17(23)22-19-21-14-7-5-12(10-16(14)27-19)18(24)26-4-2/h5-10H,3-4H2,1-2H3,(H,21,22,23)