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

Systemtic Name: methyl 3-ethyl-2-(4-morpholin-4-ylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-(4-morpholinosulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-(4-morpholin-4-ylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-(4-morpholinosulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H23N3O6S2/c1-3-25-18-9-6-16(21(27)30-2)14-19(18)32-22(25)23-20(26)15-4-7-17(8-5-15)33(28,29)24-10-12-31-13-11-24/h4-9,14H,3,10-13H2,1-2H3