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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(3,4,5-triethoxyphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(3,4,5-triethoxybenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(3,4,5-triethoxybenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-piperonyl-2-[(3,4,5-triethoxybenzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C28H31NO8S MolecularWeight: 541.61264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C(=C(S2)CC3=CC4=C(C=C3)OCO4)C)C(=O)OC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C(=C(S2)CC3=CC4=C(C=C3)OCO4)C)C(=O)OC

InChI

InChI=1S/C28H31NO8S/c1-6-33-21-13-18(14-22(34-7-2)25(21)35-8-3)26(30)29-27-24(28(31)32-5)16(4)23(38-27)12-17-9-10-19-20(11-17)37-15-36-19/h9-11,13-14H,6-8,12,15H2,1-5H3,(H,29,30)