2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-(homoveratrylamino)-2-keto-ethyl]-4-methyl-thiazole-5-carboxylic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC(=O)NCCC2=CC(=C(C=C2)OC)OC)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)CC(=O)NCCC2=CC(=C(C=C2)OC)OC)C(=O)O

InChI

InChI=1S/C17H20N2O5S/c1-10-16(17(21)22)25-15(19-10)9-14(20)18-7-6-11-4-5-12(23-2)13(8-11)24-3/h4-5,8H,6-7,9H2,1-3H3,(H,18,20)(H,21,22)