(3R)-3-(3,4-dimethoxyphenyl)-5-oxidanylidene-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoate

Systemtic Name: (3R)-3-(3,4-dimethoxyphenyl)-5-oxidanylidene-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoate Openeye Name: (3R)-3-(3,4-dimethoxyphenyl)-5-oxo-5-[(4-phenylthiazol-2-yl)amino]pentanoate CAS Name: (3R)-3-(3,4-dimethoxyphenyl)-5-oxo-5-[(4-phenyl-2-thiazolyl)amino]pentanoate IUPAC Name: (3R)-3-(3,4-dimethoxyphenyl)-5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoate Traditional Name: (3R)-3-(3,4-dimethoxyphenyl)-5-keto-5-[(4-phenylthiazol-2-yl)amino]valerate Formula: C22H21N2O5S- MolecularWeight: 425.47754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)NC2=NC(=CS2)C3=CC=CC=C3)CC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC(=O)NC2=NC(=CS2)C3=CC=CC=C3)CC(=O)[O-])OC

InChI

InChI=1S/C22H22N2O5S/c1-28-18-9-8-15(10-19(18)29-2)16(12-21(26)27)11-20(25)24-22-23-17(13-30-22)14-6-4-3-5-7-14/h3-10,13,16H,11-12H2,1-2H3,(H,26,27)(H,23,24,25)/p-1/t16-/m1/s1