diethyl 5-[2-(1,3-benzoxazol-4-ylcarbonyloxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(1,3-benzoxazol-4-ylcarbonyloxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-(1,3-benzoxazole-4-carbonyloxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[1,3-benzoxazol-4-yl(oxo)methoxy]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-(1,3-benzoxazole-4-carbonyloxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(1,3-benzoxazole-4-carbonyloxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H22N2O8S MolecularWeight: 474.48368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)OC(=O)C2=C3C(=CC=C2)OC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)OC(=O)C2=C3C(=CC=C2)OC=N3

InChI

InChI=1S/C22H22N2O8S/c1-5-29-21(27)15-11(3)17(22(28)30-6-2)33-19(15)24-18(25)12(4)32-20(26)13-8-7-9-14-16(13)23-10-31-14/h7-10,12H,5-6H2,1-4H3,(H,24,25)