[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 4-methyl-2-(3-thienyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-(3-thiophenyl)-5-thiazolecarboxylic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(3-thienyl)thiazole-5-carboxylic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C21H21NO3S2 MolecularWeight: 399.52634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N=C(S2)C3=CSC=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N=C(S2)C3=CSC=C3)C

InChI

InChI=1S/C21H21NO3S2/c1-3-4-5-15-6-8-16(9-7-15)18(23)12-25-21(24)19-14(2)22-20(27-19)17-10-11-26-13-17/h6-11,13H,3-5,12H2,1-2H3