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

Systemtic Name: 4-chloranyl-2-[(4-methylphenyl)methyl]-1,3-benzothiazole-6-carboxylate Openeye Name: 4-chloro-2-(p-tolylmethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 4-chloro-2-[(4-methylphenyl)methyl]-1,3-benzothiazole-6-carboxylate IUPAC Name: 4-chloro-2-[(4-methylphenyl)methyl]-1,3-benzothiazole-6-carboxylate Traditional Name: 4-chloro-2-(4-methylbenzyl)-1,3-benzothiazole-6-carboxylate Formula: C16H11ClNO2S- MolecularWeight: 316.78204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NC3=C(S2)C=C(C=C3Cl)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NC3=C(S2)C=C(C=C3Cl)C(=O)[O-]

InChI

InChI=1S/C16H12ClNO2S/c1-9-2-4-10(5-3-9)6-14-18-15-12(17)7-11(16(19)20)8-13(15)21-14/h2-5,7-8H,6H2,1H3,(H,19,20)/p-1