ethyl 2-[5,6-dimethoxy-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5,6-dimethoxy-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5,6-dimethoxy-2-[1-(2-thienylsulfonyl)piperidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethoxy-2-[oxo-(1-thiophen-2-ylsulfonyl-2-piperidinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,6-dimethoxy-2-(1-thiophen-2-ylsulfonylpiperidine-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,6-dimethoxy-2-[1-(2-thienylsulfonyl)pipecoloyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H27N3O7S3 MolecularWeight: 553.67138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=C(C=C2SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)OC)OC

Isomeric SMILES

CCOC(=O)CN1C2=CC(=C(C=C2SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)OC)OC

InChI

InChI=1S/C23H27N3O7S3/c1-4-33-20(27)14-25-16-12-17(31-2)18(32-3)13-19(16)35-23(25)24-22(28)15-8-5-6-10-26(15)36(29,30)21-9-7-11-34-21/h7,9,11-13,15H,4-6,8,10,14H2,1-3H3