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

Systemtic Name: ethyl 2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCC2=C(N=C(N=C2C)SC)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCC2=C(N=C(N=C2C)SC)C)C(=O)OCC

InChI

InChI=1S/C19H25N3O3S2/c1-6-13-10-15(18(24)25-7-2)17(27-13)22-16(23)9-8-14-11(3)20-19(26-5)21-12(14)4/h10H,6-9H2,1-5H3,(H,22,23)