N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-carboxamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(4-methyl-2-nitro-phenoxy)methyl]-2-furamide Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S/c1-12-4-7-17(16(9-12)24(26)27)28-11-14-5-8-18(29-14)20(25)23-21-22-15-6-3-13(2)10-19(15)30-21/h3-10H,11H2,1-2H3,(H,22,23,25)