methyl 2-[5-nitro-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5-nitro-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5-nitro-2-[1-(2-thienylsulfonyl)piperidine-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5-nitro-2-[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-nitro-2-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-nitro-2-[1-(2-thienylsulfonyl)isonipecotoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H20N4O7S3 MolecularWeight: 524.5904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H20N4O7S3/c1-31-17(25)12-23-15-11-14(24(27)28)4-5-16(15)33-20(23)21-19(26)13-6-8-22(9-7-13)34(29,30)18-3-2-10-32-18/h2-5,10-11,13H,6-9,12H2,1H3