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

Systemtic Name: ethyl 2-[2-(2-methylsulfonylphenyl)carbonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-isopropyl-2-(2-methylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(2-methylsulfonylphenyl)-oxomethyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-methylsulfonylbenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-isopropyl-2-(2-mesylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C22H24N2O5S2/c1-5-29-20(25)13-24-17-11-10-15(14(2)3)12-18(17)30-22(24)23-21(26)16-8-6-7-9-19(16)31(4,27)28/h6-12,14H,5,13H2,1-4H3