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

Systemtic Name: propan-2-yl 2-(1,3-benzodioxol-5-ylcarbonylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-(1,3-benzodioxole-5-carbonylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(piperonyloylamino)thiophene-3-carboxylic acid isopropyl ester Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC(C)C)C4=CC=CC=C4

InChI

InChI=1S/C23H21NO5S/c1-13(2)29-23(26)20-19(15-7-5-4-6-8-15)14(3)30-22(20)24-21(25)16-9-10-17-18(11-16)28-12-27-17/h4-11,13H,12H2,1-3H3,(H,24,25)