O2-tert-butyl O4-ethyl 5-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 5-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(piperonyloylamino)thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C21H23NO7S MolecularWeight: 433.47482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H23NO7S/c1-6-26-19(24)15-11(2)16(20(25)29-21(3,4)5)30-18(15)22-17(23)12-7-8-13-14(9-12)28-10-27-13/h7-9H,6,10H2,1-5H3,(H,22,23)