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

Systemtic Name: ethyl 2-[6-ethyl-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethyl-2-[1-(2-thienylsulfonyl)piperidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethyl-2-[oxo-(1-thiophen-2-ylsulfonyl-2-piperidinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethyl-2-(1-thiophen-2-ylsulfonylpiperidine-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethyl-2-[1-(2-thienylsulfonyl)pipecoloyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H27N3O5S3 MolecularWeight: 521.67258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)S2)CC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)S2)CC(=O)OCC

InChI

InChI=1S/C23H27N3O5S3/c1-3-16-10-11-17-19(14-16)33-23(25(17)15-20(27)31-4-2)24-22(28)18-8-5-6-12-26(18)34(29,30)21-9-7-13-32-21/h7,9-11,13-14,18H,3-6,8,12,15H2,1-2H3