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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[2-[(3-oxidanyl-1-adamantyl)carbonyloxy]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3-hydroxyadamantane-1-carbonyl)oxyacetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(3-hydroxy-1-adamantyl)-oxomethoxy]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3-hydroxyadamantane-1-carbonyl)oxyacetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-hydroxyadamantane-1-carbonyl)oxyacetyl]amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H33NO8S MolecularWeight: 555.63922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)COC(=O)C45CC6CC(C4)CC(C6)(C5)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)COC(=O)C45CC6CC(C4)CC(C6)(C5)O

InChI

InChI=1S/C29H33NO8S/c1-3-35-26(32)24-16(2)22(8-17-4-5-20-21(7-17)38-15-37-20)39-25(24)30-23(31)13-36-27(33)28-9-18-6-19(10-28)12-29(34,11-18)14-28/h4-5,7,18-19,34H,3,6,8-15H2,1-2H3,(H,30,31)