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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(naphthalen-2-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[2-naphthalenyl(oxo)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate Traditional Name: 4-methyl-2-(2-naphthoylamino)-5-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C26H21NO5S MolecularWeight: 459.51364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21NO5S/c1-15-22(12-16-7-10-20-21(11-16)32-14-31-20)33-25(23(15)26(29)30-2)27-24(28)19-9-8-17-5-3-4-6-18(17)13-19/h3-11,13H,12,14H2,1-2H3,(H,27,28)