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

Systemtic Name: methyl 2-[2-(1-adamantylcarbonyloxy)ethanoylamino]-4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[1-adamantyl(oxo)methoxy]-1-oxoethyl]amino]-4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-4-(1,3-benzodioxol-5-ylmethyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C28H31NO7S MolecularWeight: 525.61324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OC)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OC)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H31NO7S/c1-15-20(8-16-3-4-21-22(9-16)36-14-35-21)24(26(31)33-2)25(37-15)29-23(30)13-34-27(32)28-10-17-5-18(11-28)7-19(6-17)12-28/h3-4,9,17-19H,5-8,10-14H2,1-2H3,(H,29,30)