3-(3-chloranylpropanoyl)-2-(3-methoxy-4-phenylmethoxy-phenyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-(3-chloranylpropanoyl)-2-(3-methoxy-4-phenylmethoxy-phenyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-3-(3-chloropropanoyl)thiazolidine-4-carboxylic acid CAS Name: 3-(3-chloro-1-oxopropyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-(3-chloropropanoyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(4-benzoxy-3-methoxy-phenyl)-3-(3-chloropropanoyl)thiazolidine-4-carboxylic acid Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2N(C(CS2)C(=O)O)C(=O)CCCl)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C2N(C(CS2)C(=O)O)C(=O)CCCl)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22ClNO5S/c1-27-18-11-15(7-8-17(18)28-12-14-5-3-2-4-6-14)20-23(19(24)9-10-22)16(13-29-20)21(25)26/h2-8,11,16,20H,9-10,12-13H2,1H3,(H,25,26)