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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-phenylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C28H23NO5S MolecularWeight: 485.55092

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H23NO5S/c1-17-24(15-18-8-13-22-23(14-18)34-16-33-22)35-27(25(17)28(31)32-2)29-26(30)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,29,30)