ethyl 2-[6-butyl-2-(2-ethylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-butyl-2-(2-ethylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-butyl-2-(2-ethylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[(2-ethylsulfonylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-butyl-2-(2-ethylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-(2-esylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H28N2O5S2 MolecularWeight: 488.61952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)CC)S2)CC(=O)OCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)CC)S2)CC(=O)OCC

InChI

InChI=1S/C24H28N2O5S2/c1-4-7-10-17-13-14-19-20(15-17)32-24(26(19)16-22(27)31-5-2)25-23(28)18-11-8-9-12-21(18)33(29,30)6-3/h8-9,11-15H,4-7,10,16H2,1-3H3