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

Systemtic Name: ethyl 2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]butyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[(6-phenylpyrimidin-4-yl)thio]butanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H22N4O3S2 MolecularWeight: 478.58648

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O3S2/c1-3-19(32-21-13-18(25-14-26-21)15-8-6-5-7-9-15)22(29)28-24-27-17-11-10-16(12-20(17)33-24)23(30)31-4-2/h5-14,19H,3-4H2,1-2H3,(H,27,28,29)