methyl 3-methyl-2-(4-propan-2-ylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-methyl-2-(4-propan-2-ylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-isopropylsulfonylbenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[oxo-(4-propan-2-ylsulfonylphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-(4-propan-2-ylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-isopropylsulfonylbenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C20H20N2O5S2/c1-12(2)29(25,26)15-8-5-13(6-9-15)18(23)21-20-22(3)16-10-7-14(19(24)27-4)11-17(16)28-20/h5-12H,1-4H3