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

Systemtic Name: methyl 2-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H15ClN2O4S MolecularWeight: 390.8407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)Cl

InChI

InChI=1S/C18H15ClN2O4S/c1-10-7-12(4-5-13(10)19)25-9-16(22)21-18-20-14-6-3-11(17(23)24-2)8-15(14)26-18/h3-8H,9H2,1-2H3,(H,20,21,22)