4-[5-methyl-4-[2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethoxy]-1,3-thiazol-2-yl]benzoic acid

Systemtic Name: 4-[5-methyl-4-[2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethoxy]-1,3-thiazol-2-yl]benzoic acid Openeye Name: 4-[4-[2-(1,4-dimethylpentylamino)-2-oxo-ethoxy]-5-methyl-thiazol-2-yl]benzoic acid CAS Name: 4-[5-methyl-4-[2-(5-methylhexan-2-ylamino)-2-oxoethoxy]-2-thiazolyl]benzoic acid IUPAC Name: 4-[5-methyl-4-[2-(5-methylhexan-2-ylamino)-2-oxoethoxy]-1,3-thiazol-2-yl]benzoic acid Traditional Name: 4-[4-[2-(1,4-dimethylpentylamino)-2-keto-ethoxy]-5-methyl-thiazol-2-yl]benzoic acid Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C2=CC=C(C=C2)C(=O)O)OCC(=O)NC(C)CCC(C)C

Isomeric SMILES

CC1=C(N=C(S1)C2=CC=C(C=C2)C(=O)O)OCC(=O)NC(C)CCC(C)C

InChI

InChI=1S/C20H26N2O4S/c1-12(2)5-6-13(3)21-17(23)11-26-18-14(4)27-19(22-18)15-7-9-16(10-8-15)20(24)25/h7-10,12-13H,5-6,11H2,1-4H3,(H,21,23)(H,24,25)