(7-chloranyl-1,3-benzodioxol-5-yl)methyl 5-(furan-2-ylcarbonylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 5-(furan-2-ylcarbonylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 5-(furan-2-carbonylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-furanyl(oxo)methyl]amino]-3-methyl-2-thiophenecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate Traditional Name: 5-(2-furoylamino)-3-methyl-thiophene-2-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C19H14ClNO6S MolecularWeight: 419.83556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2=CC=CO2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2=CC=CO2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C19H14ClNO6S/c1-10-5-15(21-18(22)13-3-2-4-24-13)28-17(10)19(23)25-8-11-6-12(20)16-14(7-11)26-9-27-16/h2-7H,8-9H2,1H3,(H,21,22)