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

Systemtic Name: ethyl 2-[5-nitro-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H22N4O7S3 MolecularWeight: 538.61698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O7S3/c1-2-32-18(26)13-24-16-12-15(25(28)29)5-6-17(16)34-21(24)22-20(27)14-7-9-23(10-8-14)35(30,31)19-4-3-11-33-19/h3-6,11-12,14H,2,7-10,13H2,1H3