[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: 1-[(2,6-dimethylphenyl)carbamoyl]propyl 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [1-(2,6-dimethylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,6-dimethylanilino)-1-oxobutan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid 1-[(2,6-dimethylphenyl)carbamoyl]propyl ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC=C1C)C)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC=C1C)C)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H24N2O3S/c1-4-21(24(29)28-23-16(2)10-9-11-17(23)3)31-26(30)19-13-6-5-12-18(19)25-27-20-14-7-8-15-22(20)32-25/h5-15,21H,4H2,1-3H3,(H,28,29)