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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 4-methyl-2-pyrimidin-2-yl-thiazole-5-carboxylate CAS Name: 4-methyl-2-(2-pyrimidinyl)-5-thiazolecarboxylic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(2-pyrimidyl)thiazole-5-carboxylic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=NC=CC=N2)C(=O)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(SC(=N1)C2=NC=CC=N2)C(=O)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N4O5S/c1-13-18(31-20(25-13)19-23-8-4-9-24-19)21(27)30-12-17(26)22-10-7-14-5-6-15(28-2)16(11-14)29-3/h4-6,8-9,11H,7,10,12H2,1-3H3,(H,22,26)