ethyl 2-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S2/c1-3-30-19(25)12-15-14-31-21(22-15)23-20(26)17-13-16(8-9-18(17)29-2)32(27,28)24-10-6-4-5-7-11-24/h8-9,13-14H,3-7,10-12H2,1-2H3,(H,22,23,26)