2-(2,6-dimethylphenoxy)ethyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 1,3-benzothiazole-6-carboxylate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid 2-(2,6-dimethylphenoxy)ethyl ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCOC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCOC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C18H17NO3S/c1-12-4-3-5-13(2)17(12)21-8-9-22-18(20)14-6-7-15-16(10-14)23-11-19-15/h3-7,10-11H,8-9H2,1-2H3