methyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-methoxy-4-methylsulfanyl-phenyl)carbonyloxyethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-methoxy-4-methylsulfanyl-phenyl)carbonyloxyethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-methoxy-4-methylsulfanyl-benzoyl)oxyacetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[[2-methoxy-4-(methylthio)phenyl]-oxomethoxy]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-methoxy-4-methylsulfanylbenzoyl)oxyacetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[2-methoxy-4-(methylthio)benzoyl]oxyacetyl]amino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C26H25NO8S2 MolecularWeight: 543.6086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC(=O)C2=C(C=C(C=C2)SC)OC)C(=O)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COC(=O)C2=C(C=C(C=C2)SC)OC)C(=O)OC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H25NO8S2/c1-14-18(9-15-5-8-19-21(10-15)35-13-34-19)23(26(30)32-3)24(37-14)27-22(28)12-33-25(29)17-7-6-16(36-4)11-20(17)31-2/h5-8,10-11H,9,12-13H2,1-4H3,(H,27,28)