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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(2-phenylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H23NO5S MolecularWeight: 437.50812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H23NO5S/c1-3-28-24(27)22-15(2)20(12-17-9-10-18-19(11-17)30-14-29-18)31-23(22)25-21(26)13-16-7-5-4-6-8-16/h4-11H,3,12-14H2,1-2H3,(H,25,26)