O2-ethyl O4-propan-2-yl 5-[[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propan-2-yl 5-[[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 5-[[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[5-(1,3-benzodioxol-5-yloxymethyl)-2-furanyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propan-2-yl ester IUPAC Name: 2-O-ethyl 4-O-propan-2-yl 5-[[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[5-(1,3-benzodioxol-5-yloxymethyl)-2-furoyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-isopropyl ester Formula: C25H25NO9S MolecularWeight: 515.5323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(O2)COC3=CC4=C(C=C3)OCO4)C(=O)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(O2)COC3=CC4=C(C=C3)OCO4)C(=O)OC(C)C)C

InChI

InChI=1S/C25H25NO9S/c1-5-30-25(29)21-14(4)20(24(28)34-13(2)3)23(36-21)26-22(27)18-9-7-16(35-18)11-31-15-6-8-17-19(10-15)33-12-32-17/h6-10,13H,5,11-12H2,1-4H3,(H,26,27)