2-[5-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-2-sulfanyl-ethanoic acid

Systemtic Name: 2-[5-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-2-sulfanyl-ethanoic acid Openeye Name: 2-[5-(3,4-dimethoxyphenyl)-4-phenyl-thiazol-2-yl]-2-sulfanyl-acetic acid CAS Name: 2-[5-(3,4-dimethoxyphenyl)-4-phenyl-2-thiazolyl]-2-mercaptoacetic acid IUPAC Name: 2-[5-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-2-sulfanylacetic acid Traditional Name: 2-[5-(3,4-dimethoxyphenyl)-4-phenyl-thiazol-2-yl]-2-mercapto-acetic acid Formula: C19H17NO4S2 MolecularWeight: 387.47258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N=C(S2)C(C(=O)O)S)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N=C(S2)C(C(=O)O)S)C3=CC=CC=C3)OC

InChI

InChI=1S/C19H17NO4S2/c1-23-13-9-8-12(10-14(13)24-2)17-15(11-6-4-3-5-7-11)20-18(26-17)16(25)19(21)22/h3-10,16,25H,1-2H3,(H,21,22)