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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-diphenylethanoylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(2,2-diphenylacetyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(1-oxo-2,2-diphenylethyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(2,2-diphenylacetyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[(2,2-diphenylacetyl)amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C30H27NO5S MolecularWeight: 513.60408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H27NO5S/c1-3-34-30(33)26-19(2)25(17-20-14-15-23-24(16-20)36-18-35-23)37-29(26)31-28(32)27(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-16,27H,3,17-18H2,1-2H3,(H,31,32)