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

Systemtic Name: ethyl 2-[2-[3-(azepan-1-ylsulfonyl)phenyl]carbonyloxyethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[3-(azepan-1-ylsulfonyl)benzoyl]oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[3-(1-azepanylsulfonyl)phenyl]-oxomethoxy]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-(azepan-1-ylsulfonyl)benzoyl]oxyacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[3-(azepan-1-ylsulfonyl)benzoyl]oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H30N2O7S2 MolecularWeight: 570.677

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C28H30N2O7S2/c1-2-36-28(33)25-23(20-11-6-5-7-12-20)19-38-26(25)29-24(31)18-37-27(32)21-13-10-14-22(17-21)39(34,35)30-15-8-3-4-9-16-30/h5-7,10-14,17,19H,2-4,8-9,15-16,18H2,1H3,(H,29,31)