[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)CCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)CCCCC2=NC3=CC=CC=C3S2

InChI

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