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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-hydroxyphenyl)carbonyloxyethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(4-hydroxybenzoyl)oxyacetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(4-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(4-hydroxybenzoyl)oxyacetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-hydroxybenzoyl)oxyacetyl]amino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H23NO8S MolecularWeight: 497.51702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)COC(=O)C4=CC=C(C=C4)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)COC(=O)C4=CC=C(C=C4)O

InChI

InChI=1S/C25H23NO8S/c1-3-31-25(30)22-18(10-15-4-9-19-20(11-15)34-13-33-19)14(2)35-23(22)26-21(28)12-32-24(29)16-5-7-17(27)8-6-16/h4-9,11,27H,3,10,12-13H2,1-2H3,(H,26,28)