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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(2-phenylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(1-oxo-2-phenylethyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-2-[(2-phenylacetyl)amino]-5-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H21NO5S/c1-14-19(11-16-8-9-17-18(10-16)29-13-28-17)30-22(21(14)23(26)27-2)24-20(25)12-15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H,24,25)