ethyl 3-methyl-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-methyl-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-[2-(4-propan-2-ylsulfonylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(C)C)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(C)C)S2)C

InChI

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