4-[2-[(5-ethyl-4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[(5-ethyl-4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[(5-ethyl-4-methylsulfonyl-thiazol-2-yl)carbamoyl]phenoxy]-4-oxo-butanoic acid CAS Name: 4-[2-[[(5-ethyl-4-methylsulfonyl-2-thiazolyl)amino]-oxomethyl]phenoxy]-4-oxobutanoic acid IUPAC Name: 4-[2-[(5-ethyl-4-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]-4-oxobutanoic acid Traditional Name: 4-[2-[(5-ethyl-4-mesyl-thiazol-2-yl)carbamoyl]phenoxy]-4-keto-butyric acid Formula: C17H18N2O7S2 MolecularWeight: 426.46402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(S1)NC(=O)C2=CC=CC=C2OC(=O)CCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CCC1=C(N=C(S1)NC(=O)C2=CC=CC=C2OC(=O)CCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C17H18N2O7S2/c1-3-12-16(28(2,24)25)19-17(27-12)18-15(23)10-6-4-5-7-11(10)26-14(22)9-8-13(20)21/h4-7H,3,8-9H2,1-2H3,(H,20,21)(H,18,19,23)