ethyl 2-[5,7-dimethyl-2-(4-propan-2-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5,7-dimethyl-2-(4-propan-2-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-isopropylsulfonylbenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,7-dimethyl-2-[oxo-(4-propan-2-ylsulfonylphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,7-dimethyl-2-(4-propan-2-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-isopropylsulfonylbenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(C)C)C)C

Isomeric SMILES

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(C)C)C)C

InChI

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