[(2R)-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [(2R)-1-oxo-1-[(4-phenyl-2-thiazolyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [(1R)-2-keto-1-methyl-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC(=C(C(=C3)Cl)OC)OC

Isomeric SMILES

C[C@H](C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC(=C(C(=C3)Cl)OC)OC

InChI

InChI=1S/C21H19ClN2O5S/c1-12(29-20(26)14-9-15(22)18(28-3)17(10-14)27-2)19(25)24-21-23-16(11-30-21)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,23,24,25)/t12-/m1/s1