ethyl 4-methyl-2-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[(3,4,5-triethoxybenzoyl)carbamothioylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(3,4,5-triethoxybenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(3,4,5-triethoxybenzoyl)thiocarbamoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)OCC)C

InChI

InChI=1S/C21H27N3O6S2/c1-6-27-14-10-13(11-15(28-7-2)16(14)29-8-3)18(25)23-20(31)24-21-22-12(5)17(32-21)19(26)30-9-4/h10-11H,6-9H2,1-5H3,(H2,22,23,24,25,31)