ethyl 2-[2-[3-(azepan-1-ylsulfonyl)phenyl]carbonyloxyethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[3-(azepan-1-ylsulfonyl)phenyl]carbonyloxyethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-[3-(azepan-1-ylsulfonyl)benzoyl]oxyacetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-[[3-(1-azepanylsulfonyl)phenyl]-oxomethoxy]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-[3-(azepan-1-ylsulfonyl)benzoyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-[3-(azepan-1-ylsulfonyl)benzoyl]oxyacetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H30N2O8S2 MolecularWeight: 550.6443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H30N2O8S2/c1-4-34-25(31)21-16(2)22(17(3)28)36-23(21)26-20(29)15-35-24(30)18-10-9-11-19(14-18)37(32,33)27-12-7-5-6-8-13-27/h9-11,14H,4-8,12-13,15H2,1-3H3,(H,26,29)