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

Systemtic Name: ethyl 2-[6-methyl-2-(3-propan-2-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3-isopropylsulfonylbenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methyl-2-[oxo-(3-propan-2-ylsulfonylphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-methyl-2-(3-propan-2-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-isopropylsulfonylbenzoyl)imino-6-methyl-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)SC1=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

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

InChI

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