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

Systemtic Name: ethyl 2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[3-[(6-methyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-[(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)CCSC3=NC=NC(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S2/c1-3-25-17(24)12-4-5-13-14(9-12)27-18(21-13)22-15(23)6-7-26-16-8-11(2)19-10-20-16/h4-5,8-10H,3,6-7H2,1-2H3,(H,21,22,23)