ethyl 3-[furan-2-ylmethyl-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonyl-amino]propanoate

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonyl-amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[[5-(2-methylsulfanylpyrimidin-4-yl)-2-thienyl]sulfonyl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[[5-[2-(methylthio)-4-pyrimidinyl]-2-thiophenyl]sulfonyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]propanoate Traditional Name: 3-[2-furfuryl-[[5-[2-(methylthio)pyrimidin-4-yl]-2-thienyl]sulfonyl]amino]propionic acid ethyl ester Formula: C19H21N3O5S3 MolecularWeight: 467.58214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)S(=O)(=O)C2=CC=C(S2)C3=NC(=NC=C3)SC

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)S(=O)(=O)C2=CC=C(S2)C3=NC(=NC=C3)SC

InChI

InChI=1S/C19H21N3O5S3/c1-3-26-17(23)9-11-22(13-14-5-4-12-27-14)30(24,25)18-7-6-16(29-18)15-8-10-20-19(21-15)28-2/h4-8,10,12H,3,9,11,13H2,1-2H3