5-[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-methyl-phenyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-methyl-phenyl]thiophene-2-carboxylic acid Openeye Name: 5-[4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]-2-methyl-phenyl]thiophene-2-carboxylic acid CAS Name: 5-[4-[[3-cyclohexyl-1-(5-thiazolyl)propoxy]methyl]-2-methylphenyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-methylphenyl]thiophene-2-carboxylic acid Traditional Name: 5-[4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]-2-methyl-phenyl]-2-thenoic acid Formula: C25H29NO3S2 MolecularWeight: 455.63266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)COC(CCC2CCCCC2)C3=CN=CS3)C4=CC=C(S4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)COC(CCC2CCCCC2)C3=CN=CS3)C4=CC=C(S4)C(=O)O

InChI

InChI=1S/C25H29NO3S2/c1-17-13-19(7-9-20(17)22-11-12-23(31-22)25(27)28)15-29-21(24-14-26-16-30-24)10-8-18-5-3-2-4-6-18/h7,9,11-14,16,18,21H,2-6,8,10,15H2,1H3,(H,27,28)