propan-2-yl 5-(1,3-benzodioxol-5-ylcarbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: propan-2-yl 5-(1,3-benzodioxol-5-ylcarbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 5-(1,3-benzodioxole-5-carbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(1,3-benzodioxole-5-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(piperonyloylamino)thiophene-2-carboxylic acid isopropyl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC(C)C

InChI

InChI=1S/C18H16N2O5S/c1-9(2)25-18(22)15-10(3)12(7-19)17(26-15)20-16(21)11-4-5-13-14(6-11)24-8-23-13/h4-6,9H,8H2,1-3H3,(H,20,21)