O2-ethyl O4-methyl 5-[2-(1,3-benzoxazol-4-ylcarbonyloxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 5-[2-(1,3-benzoxazol-4-ylcarbonyloxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[2-(1,3-benzoxazole-4-carbonyloxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[1,3-benzoxazol-4-yl(oxo)methoxy]-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[2-(1,3-benzoxazole-4-carbonyloxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(1,3-benzoxazole-4-carbonyloxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C22H22N2O8S MolecularWeight: 474.48368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OC)OC(=O)C2=C3C(=CC=C2)OC=N3

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OC)OC(=O)C2=C3C(=CC=C2)OC=N3

InChI

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