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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylbenzoyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H29NO5S MolecularWeight: 479.58786

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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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO5S/c1-6-31-26(30)23-16(2)22(14-17-7-12-20-21(13-17)33-15-32-20)34-25(23)28-24(29)18-8-10-19(11-9-18)27(3,4)5/h7-13H,6,14-15H2,1-5H3,(H,28,29)