1,3-benzodioxol-5-ylmethyl 5-methyl-4-(2-phenylethanoylamino)thiophene-2-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 5-methyl-4-(2-phenylethanoylamino)thiophene-2-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 5-methyl-4-[(2-phenylacetyl)amino]thiophene-2-carboxylate CAS Name: 5-methyl-4-[(1-oxo-2-phenylethyl)amino]-2-thiophenecarboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 5-methyl-4-[(2-phenylacetyl)amino]thiophene-2-carboxylate Traditional Name: 5-methyl-4-[(2-phenylacetyl)amino]thiophene-2-carboxylic acid piperonyl ester Formula: C22H19NO5S MolecularWeight: 409.45496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)OCC2=CC3=C(C=C2)OCO3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(S1)C(=O)OCC2=CC3=C(C=C2)OCO3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H19NO5S/c1-14-17(23-21(24)10-15-5-3-2-4-6-15)11-20(29-14)22(25)26-12-16-7-8-18-19(9-16)28-13-27-18/h2-9,11H,10,12-13H2,1H3,(H,23,24)