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

Systemtic Name: butyl 2-[(3-chloranyl-4-ethoxy-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)OCC)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)OCC)Cl

InChI

InChI=1S/C21H21ClN2O4S/c1-3-5-10-28-20(26)14-6-8-16-18(12-14)29-21(23-16)24-19(25)13-7-9-17(27-4-2)15(22)11-13/h6-9,11-12H,3-5,10H2,1-2H3,(H,23,24,25)