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

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-5-ethoxy-4-methoxy-2-nitro-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-5-ethoxy-4-methoxy-2-nitro-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-5-ethoxy-4-methoxy-2-nitro-benzamide Formula: C22H19N3O6S MolecularWeight: 453.46776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H19N3O6S/c1-3-30-19-10-14(16(25(27)28)11-18(19)29-2)21(26)23-12-13-8-9-17(31-13)22-24-15-6-4-5-7-20(15)32-22/h4-11H,3,12H2,1-2H3,(H,23,26)