diethyl 5-[[(2S)-2-(furan-2-ylmethylsulfanyl)propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[(2S)-2-(furan-2-ylmethylsulfanyl)propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[(2S)-2-(2-furylmethylsulfanyl)propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2S)-2-(2-furanylmethylthio)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[(2S)-2-(furan-2-ylmethylsulfanyl)propanoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(2S)-2-(2-furfurylthio)propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H23NO6S2 MolecularWeight: 425.51902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SCC2=CC=CO2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)[C@H](C)SCC2=CC=CO2

InChI

InChI=1S/C19H23NO6S2/c1-5-24-18(22)14-11(3)15(19(23)25-6-2)28-17(14)20-16(21)12(4)27-10-13-8-7-9-26-13/h7-9,12H,5-6,10H2,1-4H3,(H,20,21)/t12-/m0/s1