2-aminocarbonyl-2-[cyano-(3,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-3-carboxylic acid

Systemtic Name: 2-aminocarbonyl-2-[cyano-(3,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-3-carboxylic acid Openeye Name: 2-carbamoyl-2-[cyano-(3,4-dimethoxyphenyl)methyl]thiazolidine-3-carboxylic acid CAS Name: 2-carbamoyl-2-[cyano-(3,4-dimethoxyphenyl)methyl]-3-thiazolidinecarboxylic acid IUPAC Name: 2-carbamoyl-2-[cyano-(3,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-3-carboxylic acid Traditional Name: 2-carbamoyl-2-[cyano-(3,4-dimethoxyphenyl)methyl]thiazolidine-3-carboxylic acid Formula: C15H17N3O5S MolecularWeight: 351.37758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)C2(N(CCS2)C(=O)O)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C#N)C2(N(CCS2)C(=O)O)C(=O)N)OC

InChI

InChI=1S/C15H17N3O5S/c1-22-11-4-3-9(7-12(11)23-2)10(8-16)15(13(17)19)18(14(20)21)5-6-24-15/h3-4,7,10H,5-6H2,1-2H3,(H2,17,19)(H,20,21)