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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O3S2/c1-3-30-22(29)16-9-10-17-19(11-16)32-23(26-17)27-21(28)14(2)31-20-12-18(24-13-25-20)15-7-5-4-6-8-15/h4-14H,3H2,1-2H3,(H,26,27,28)