methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[4-(phenylcarbonyl)phenyl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[4-(phenylcarbonyl)phenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-benzoylbenzoyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-benzoylphenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-benzoylbenzoyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-benzoylbenzoyl)amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C29H23NO6S MolecularWeight: 513.56102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H23NO6S/c1-17-24(15-18-8-13-22-23(14-18)36-16-35-22)37-28(25(17)29(33)34-2)30-27(32)21-11-9-20(10-12-21)26(31)19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,30,32)