ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-bromanyl-1-adamantyl)carbonyloxy]ethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-bromanyl-1-adamantyl)carbonyloxy]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3-bromoadamantane-1-carbonyl)oxyacetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(3-bromo-1-adamantyl)-oxomethoxy]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3-bromoadamantane-1-carbonyl)oxyacetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-bromoadamantane-1-carbonyl)oxyacetyl]amino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H32BrNO7S MolecularWeight: 618.53588

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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)C45CC6CC(C4)CC(C6)(C5)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)COC(=O)C45CC6CC(C4)CC(C6)(C5)Br

InChI

InChI=1S/C29H32BrNO7S/c1-3-35-26(33)24-20(7-17-4-5-21-22(8-17)38-15-37-21)16(2)39-25(24)31-23(32)13-36-27(34)28-9-18-6-19(10-28)12-29(30,11-18)14-28/h4-5,8,18-19H,3,6-7,9-15H2,1-2H3,(H,31,32)