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

Systemtic Name: ethyl 2-[6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-[4-(1-piperidylsulfonyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-(4-piperidin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(4-piperidinosulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H29N3O6S2 MolecularWeight: 531.64426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)S2)CC(=O)OCC

InChI

InChI=1S/C25H29N3O6S2/c1-3-33-19-10-13-21-22(16-19)35-25(28(21)17-23(29)34-4-2)26-24(30)18-8-11-20(12-9-18)36(31,32)27-14-6-5-7-15-27/h8-13,16H,3-7,14-15,17H2,1-2H3