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

Systemtic Name: ethyl 2-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[(6-methylpyrimidin-4-yl)thio]propanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S2/c1-4-25-17(24)12-5-6-13-14(8-12)27-18(21-13)22-16(23)11(3)26-15-7-10(2)19-9-20-15/h5-9,11H,4H2,1-3H3,(H,21,22,23)