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

Systemtic Name: methyl 3-methyl-2-(4-morpholin-4-ylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-methyl-2-(4-morpholinosulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-(4-morpholin-4-ylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-(4-morpholinosulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H21N3O6S2/c1-23-17-8-5-15(20(26)29-2)13-18(17)31-21(23)22-19(25)14-3-6-16(7-4-14)32(27,28)24-9-11-30-12-10-24/h3-8,13H,9-12H2,1-2H3