O4-ethyl O2-propan-2-yl 3-methyl-5-[3-(4-methylphenyl)propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-propan-2-yl 3-methyl-5-[3-(4-methylphenyl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 3-methyl-5-[3-(p-tolyl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-(4-methylphenyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-propan-2-yl ester IUPAC Name: 4-O-ethyl 2-O-propan-2-yl 3-methyl-5-[3-(4-methylphenyl)propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(p-tolyl)propanoylamino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)C)NC(=O)CCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)C)NC(=O)CCC2=CC=C(C=C2)C

InChI

InChI=1S/C22H27NO5S/c1-6-27-21(25)18-15(5)19(22(26)28-13(2)3)29-20(18)23-17(24)12-11-16-9-7-14(4)8-10-16/h7-10,13H,6,11-12H2,1-5H3,(H,23,24)