ethyl 2-[2-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O5S2/c1-2-28-18(24)13-16-14-29-20(21-16)22-19(25)15-8-7-9-17(12-15)30(26,27)23-10-5-3-4-6-11-23/h7-9,12,14H,2-6,10-11,13H2,1H3,(H,21,22,25)