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

Systemtic Name: ethyl 2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[(6-methylpyrimidin-4-yl)thio]butanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S2/c1-4-14(27-16-8-11(3)20-10-21-16)17(24)23-19-22-13-7-6-12(9-15(13)28-19)18(25)26-5-2/h6-10,14H,4-5H2,1-3H3,(H,22,23,24)