5-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]-3-pentan-3-yl-thiophene-2,4-dicarboxylate

Systemtic Name: 5-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]-3-pentan-3-yl-thiophene-2,4-dicarboxylate Openeye Name: 3-(1-ethylpropyl)-5-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-pentan-3-ylthiophene-2,4-dicarboxylate IUPAC Name: 5-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]-3-pentan-3-ylthiophene-2,4-dicarboxylate Traditional Name: 3-(1-ethylpropyl)-5-[[2-[(4-methylpyrimidin-2-yl)thio]acetyl]amino]thiophene-2,4-dicarboxylate Formula: C18H19N3O5S2-2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C(SC(=C1C(=O)[O-])NC(=O)CSC2=NC=CC(=N2)C)C(=O)[O-]

Isomeric SMILES

CCC(CC)C1=C(SC(=C1C(=O)[O-])NC(=O)CSC2=NC=CC(=N2)C)C(=O)[O-]

InChI

InChI=1S/C18H21N3O5S2/c1-4-10(5-2)12-13(16(23)24)15(28-14(12)17(25)26)21-11(22)8-27-18-19-7-6-9(3)20-18/h6-7,10H,4-5,8H2,1-3H3,(H,21,22)(H,23,24)(H,25,26)/p-2