ethyl 2-[2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[1-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[3-(4-pyrrolidinosulfonylphenyl)propanoylamino]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)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H25N3O5S2/c1-2-28-19(25)13-16-14-29-20(21-16)22-18(24)10-7-15-5-8-17(9-6-15)30(26,27)23-11-3-4-12-23/h5-6,8-9,14H,2-4,7,10-13H2,1H3,(H,21,22,24)