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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(3,4,5-triethoxyphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C29H33NO8S MolecularWeight: 555.63922

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO8S/c1-6-33-22-14-19(15-23(34-7-2)26(22)35-8-3)27(31)30-28-25(29(32)36-9-4)17(5)24(39-28)13-18-10-11-20-21(12-18)38-16-37-20/h10-12,14-15H,6-9,13,16H2,1-5H3,(H,30,31)