dimethyl 5-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonyloxyethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonyloxyethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C25H30N2O10S2 MolecularWeight: 582.6431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C(=O)OC

InChI

InChI=1S/C25H30N2O10S2/c1-15-20(24(30)35-3)22(38-21(15)25(31)36-4)26-19(28)14-37-23(29)17-13-16(9-10-18(17)34-2)39(32,33)27-11-7-5-6-8-12-27/h9-10,13H,5-8,11-12,14H2,1-4H3,(H,26,28)