methyl 2-[5,6-dimethyl-2-(3-propan-2-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,6-dimethyl-2-(3-propan-2-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-isopropylsulfonylbenzoyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethyl-2-[oxo-(3-propan-2-ylsulfonylphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5,6-dimethyl-2-(3-propan-2-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-isopropylsulfonylbenzoyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C(C)C)N2CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C(C)C)N2CC(=O)OC

InChI

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