ethyl 2-(4-ethylsulfonylphenyl)carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(4-ethylsulfonylphenyl)carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-ethylsulfonylbenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-ethylsulfonylphenyl)-oxomethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-ethylsulfonylbenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-esylbenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S2/c1-4-27-19(24)14-8-11-16-17(12-14)28-20(22(16)3)21-18(23)13-6-9-15(10-7-13)29(25,26)5-2/h6-12H,4-5H2,1-3H3