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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(3-phenoxyphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(3-phenoxybenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[oxo-(3-phenoxyphenyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(3-phenoxybenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(3-phenoxybenzoyl)amino]-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H25NO6S MolecularWeight: 515.5769

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H25NO6S/c1-3-33-29(32)26-23(14-19-12-13-24-25(15-19)35-17-34-24)18(2)37-28(26)30-27(31)20-8-7-11-22(16-20)36-21-9-5-4-6-10-21/h4-13,15-16H,3,14,17H2,1-2H3,(H,30,31)