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

Systemtic Name: O2-ethyl O4-methyl 5-[2-(1,3-benzoxazol-4-ylcarbonyloxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 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 O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 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 O2-ethyl ester O4-methyl ester Formula: C21H20N2O8S MolecularWeight: 460.4571

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)OC(=O)C2=C3C(=CC=C2)OC=N3)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)OC(=O)C2=C3C(=CC=C2)OC=N3)C(=O)OC)C

InChI

InChI=1S/C21H20N2O8S/c1-5-29-21(27)16-10(2)14(20(26)28-4)18(32-16)23-17(24)11(3)31-19(25)12-7-6-8-13-15(12)22-9-30-13/h6-9,11H,5H2,1-4H3,(H,23,24)