5-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)isoxazole-3-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-isoxazolecarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)isoxazole-3-carboxamide Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C20H17N3O4S2/c1-11-4-5-13(8-12(11)2)17-10-16(23-27-17)19(24)22-20-21-15-7-6-14(29(3,25)26)9-18(15)28-20/h4-10H,1-3H3,(H,21,22,24)