ethyl 4-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]butyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-[(6-phenylpyrimidin-4-yl)thio]butanoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S2/c1-4-16(19(26)25-21-24-13(3)18(30-21)20(27)28-5-2)29-17-11-15(22-12-23-17)14-9-7-6-8-10-14/h6-12,16H,4-5H2,1-3H3,(H,24,25,26)