[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [2-(2,3-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=CSC(=N2)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=CSC(=N2)C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C21H21NO5S2/c1-13-7-9-18(29-13)16(23)8-10-19(24)27-11-14-12-28-21(22-14)15-5-4-6-17(25-2)20(15)26-3/h4-7,9,12H,8,10-11H2,1-3H3