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

Systemtic Name: [4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [4-oxo-4-(2,4,6-trimethylanilino)butyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [4-oxo-4-(2,4,6-trimethylanilino)butyl] ester IUPAC Name: [4-oxo-4-(2,4,6-trimethylanilino)butyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (4-keto-4-mesidino-butyl) ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-13-9-14(2)20(15(3)10-13)23-19(24)5-4-8-26-21(25)16-6-7-17-18(11-16)27-12-22-17/h6-7,9-12H,4-5,8H2,1-3H3,(H,23,24)