ethyl 5-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]benzothiophene-2-carboxylate CAS Name: 5-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C21H23N3O3S2/c1-5-27-20(26)18-11-14-10-15(6-8-17(14)29-18)24-19(25)9-7-16-12(2)22-21(28-4)23-13(16)3/h6,8,10-11H,5,7,9H2,1-4H3,(H,24,25)