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

Systemtic Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-(homoveratrylamino)-2-keto-ethyl]-4-methyl-thiazole-5-carboxylate Formula: C17H19N2O5S- MolecularWeight: 363.40816

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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)/p-1