ethyl 2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=CC(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C20H19ClN2O4S/c1-4-26-19(25)13-5-6-15-16(9-13)28-20(22-15)23-17(24)10-27-14-7-11(2)18(21)12(3)8-14/h5-9H,4,10H2,1-3H3,(H,22,23,24)