[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(4-methoxyphenyl)thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-(4-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-(4-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C21H21NO3S2 MolecularWeight: 399.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H21NO3S2/c1-14-4-9-19(10-15(14)2)26-13-20(23)25-11-17-12-27-21(22-17)16-5-7-18(24-3)8-6-16/h4-10,12H,11,13H2,1-3H3