ethyl 2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H24N4O3S2/c1-4-20(33-22-14-19(26-15(3)27-22)16-9-7-6-8-10-16)23(30)29-25-28-18-12-11-17(13-21(18)34-25)24(31)32-5-2/h6-14,20H,4-5H2,1-3H3,(H,28,29,30)