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

Systemtic Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-tert-butylcyclohexyl)carbonyloxyethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(4-tert-butylcyclohexanecarbonyl)oxyacetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(4-tert-butylcyclohexyl)-oxomethoxy]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(4-tert-butylcyclohexanecarbonyl)oxyacetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-tert-butylcyclohexanecarbonyl)oxyacetyl]amino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C28H35NO7S MolecularWeight: 529.645

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC(=O)C2CCC(CC2)C(C)(C)C)C(=O)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COC(=O)C2CCC(CC2)C(C)(C)C)C(=O)OC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C28H35NO7S/c1-16-20(12-17-6-11-21-22(13-17)36-15-35-21)24(27(32)33-5)25(37-16)29-23(30)14-34-26(31)18-7-9-19(10-8-18)28(2,3)4/h6,11,13,18-19H,7-10,12,14-15H2,1-5H3,(H,29,30)