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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-diphenylethanoylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C29H25NO5S MolecularWeight: 499.5775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H25NO5S/c1-18-24(16-19-13-14-22-23(15-19)35-17-34-22)36-28(25(18)29(32)33-2)30-27(31)26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-15,26H,16-17H2,1-2H3,(H,30,31)