N-(1,3-benzothiazol-2-ylmethyl)-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[(3,4-dimethylphenoxy)methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[(3,4-dimethylphenoxy)methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[(3,4-dimethylphenoxy)methyl]isoxazole-3-carboxamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=CC(=NO2)C(=O)NCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=CC(=NO2)C(=O)NCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H19N3O3S/c1-13-7-8-15(9-14(13)2)26-12-16-10-18(24-27-16)21(25)22-11-20-23-17-5-3-4-6-19(17)28-20/h3-10H,11-12H2,1-2H3,(H,22,25)