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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-phenylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[oxo-(4-phenylphenyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-2-[(4-phenylbenzoyl)amino]-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H25NO5S MolecularWeight: 499.5775

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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)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)C5=CC=CC=C5

InChI

InChI=1S/C29H25NO5S/c1-3-33-29(32)26-18(2)25(16-19-9-14-23-24(15-19)35-17-34-23)36-28(26)30-27(31)22-12-10-21(11-13-22)20-7-5-4-6-8-20/h4-15H,3,16-17H2,1-2H3,(H,30,31)