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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[4-(phenylcarbonyl)phenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C30H25NO6S MolecularWeight: 527.5876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H25NO6S/c1-3-35-30(34)26-18(2)25(16-19-9-14-23-24(15-19)37-17-36-23)38-29(26)31-28(33)22-12-10-21(11-13-22)27(32)20-7-5-4-6-8-20/h4-15H,3,16-17H2,1-2H3,(H,31,33)