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

Systemtic Name: butyl 2-[(3-chloranyl-4-methyl-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(3-chloro-4-methyl-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3-chloro-4-methylphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(3-chloro-4-methylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-chloro-4-methyl-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O3S/c1-3-4-9-26-19(25)14-7-8-16-17(11-14)27-20(22-16)23-18(24)13-6-5-12(2)15(21)10-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,23,24)