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

Systemtic Name: ethyl 2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-3-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-[(6-phenylpyrimidin-4-yl)thio]propanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H20N4O3S2 MolecularWeight: 464.5599

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O3S2/c1-2-30-22(29)16-8-9-17-19(12-16)32-23(26-17)27-20(28)10-11-31-21-13-18(24-14-25-21)15-6-4-3-5-7-15/h3-9,12-14H,2,10-11H2,1H3,(H,26,27,28)