ethyl 2-[2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylthiazol-4-yl]acetate CAS Name: 2-[2-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]thiazol-4-yl]acetic acid ethyl ester Formula: C17H19N3O6S3 MolecularWeight: 457.54426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H19N3O6S3/c1-2-26-16(21)9-12-11-27-17(18-12)28-14-6-5-13(20(22)23)10-15(14)29(24,25)19-7-3-4-8-19/h5-6,10-11H,2-4,7-9H2,1H3