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

Systemtic Name: 4-[4-[2-(butylamino)-2-oxidanylidene-ethoxy]-5-methyl-1,3-thiazol-2-yl]benzoic acid Openeye Name: 4-[4-[2-(butylamino)-2-oxo-ethoxy]-5-methyl-thiazol-2-yl]benzoic acid CAS Name: 4-[4-[2-(butylamino)-2-oxoethoxy]-5-methyl-2-thiazolyl]benzoic acid IUPAC Name: 4-[4-[2-(butylamino)-2-oxoethoxy]-5-methyl-1,3-thiazol-2-yl]benzoic acid Traditional Name: 4-[4-[2-(butylamino)-2-keto-ethoxy]-5-methyl-thiazol-2-yl]benzoic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC1=C(SC(=N1)C2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CCCCNC(=O)COC1=C(SC(=N1)C2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C17H20N2O4S/c1-3-4-9-18-14(20)10-23-15-11(2)24-16(19-15)12-5-7-13(8-6-12)17(21)22/h5-8H,3-4,9-10H2,1-2H3,(H,18,20)(H,21,22)