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

Systemtic Name: [(2R)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [(1R)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [(1R)-2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@@H](C)OC(=O)CCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H26N2O3S/c1-15-9-8-10-16(2)22(15)25-23(27)17(3)28-21(26)14-7-6-13-20-24-18-11-4-5-12-19(18)29-20/h4-5,8-12,17H,6-7,13-14H2,1-3H3,(H,25,27)/t17-/m1/s1