[4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [4-(2,6-dimethylanilino)-4-oxo-butyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [4-(2,6-dimethylanilino)-4-oxobutyl] ester IUPAC Name: [4-(2,6-dimethylanilino)-4-oxobutyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [4-(2,6-dimethylanilino)-4-keto-butyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCOC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCOC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O3S/c1-15-7-5-8-16(2)22(15)24-19(25)11-6-14-27-21(26)13-12-20-23-17-9-3-4-10-18(17)28-20/h3-5,7-10H,6,11-14H2,1-2H3,(H,24,25)