2-[2-[[2,4-bis(oxidanyl)phenyl]methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[2-[[2,4-bis(oxidanyl)phenyl]methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[2-[(2,4-dihydroxyphenyl)methylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-[(2,4-dihydroxyphenyl)methylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[2-[(2,4-dihydroxyphenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[(2,4-dihydroxybenzyl)amino]-2-keto-ethyl]-4-methyl-thiazole-5-carboxylate Formula: C14H13N2O5S- MolecularWeight: 321.32842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC(=O)NCC2=C(C=C(C=C2)O)O)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)CC(=O)NCC2=C(C=C(C=C2)O)O)C(=O)[O-]

InChI

InChI=1S/C14H14N2O5S/c1-7-13(14(20)21)22-12(16-7)5-11(19)15-6-8-2-3-9(17)4-10(8)18/h2-4,17-18H,5-6H2,1H3,(H,15,19)(H,20,21)/p-1