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

Systemtic Name: ethyl 2-[6-ethyl-2-(3-propan-2-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethyl-2-(3-isopropylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethyl-2-[oxo-(3-propan-2-ylsulfonylphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethyl-2-(3-propan-2-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethyl-2-(3-isopropylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C(C)C)S2)CC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C(C)C)S2)CC(=O)OCC

InChI

InChI=1S/C23H26N2O5S2/c1-5-16-10-11-19-20(12-16)31-23(25(19)14-21(26)30-6-2)24-22(27)17-8-7-9-18(13-17)32(28,29)15(3)4/h7-13,15H,5-6,14H2,1-4H3