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

Systemtic Name: 5-(4-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)isoxazole-3-carboxamide CAS Name: 5-(4-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-isoxazolecarboxamide IUPAC Name: 5-(4-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-5-p-phenetyl-isoxazole-3-carboxamide Formula: C20H17N3O5S2 MolecularWeight: 443.49608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H17N3O5S2/c1-3-27-13-6-4-12(5-7-13)17-11-16(23-28-17)19(24)22-20-21-15-9-8-14(30(2,25)26)10-18(15)29-20/h4-11H,3H2,1-2H3,(H,21,22,24)