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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethanoylphenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-acetylbenzoyl)amino]-5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-acetylphenyl)-oxomethyl]amino]-5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-acetylbenzoyl)amino]-5-(1,3-benzodioxol-5-ylmethyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-acetylbenzoyl)amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H23NO6S MolecularWeight: 465.51822

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO6S/c1-4-30-25(29)22-14(2)21(12-16-5-10-19-20(11-16)32-13-31-19)33-24(22)26-23(28)18-8-6-17(7-9-18)15(3)27/h5-11H,4,12-13H2,1-3H3,(H,26,28)