ethyl 2-[6-nitro-2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-nitro-2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-nitro-2-(4-pyrrolidin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-nitro-2-(4-pyrrolidin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-nitro-2-(4-pyrrolidinosulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H22N4O7S2 MolecularWeight: 518.56268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22N4O7S2/c1-2-33-20(27)14-25-18-10-7-16(26(29)30)13-19(18)34-22(25)23-21(28)15-5-8-17(9-6-15)35(31,32)24-11-3-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3