N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H17N3O6S/c1-28-17-9-13(15(24(26)27)10-18(17)29-2)20(25)22-11-12-7-8-16(30-12)21-23-14-5-3-4-6-19(14)31-21/h3-10H,11H2,1-2H3,(H,22,25)