[4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [4-(2,6-dimethylanilino)-4-oxo-butyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [4-(2,6-dimethylanilino)-4-oxobutyl] ester IUPAC Name: [4-(2,6-dimethylanilino)-4-oxobutyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [4-(2,6-dimethylanilino)-4-keto-butyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-13-5-3-6-14(2)19(13)22-18(23)7-4-10-25-20(24)15-8-9-16-17(11-15)26-12-21-16/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,22,23)