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

Systemtic Name: ethyl 2-[3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H22N4O3S2 MolecularWeight: 478.58648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H22N4O3S2/c1-3-31-23(30)17-9-10-18-20(13-17)33-24(27-18)28-21(29)11-12-32-22-14-19(25-15(2)26-22)16-7-5-4-6-8-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,27,28,29)