[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H21NO5S2/c1-14-12-29-22(23-14)30-13-16-6-4-5-7-17(16)21(25)28-11-18(24)15-8-9-19(26-2)20(10-15)27-3/h4-10,12H,11,13H2,1-3H3