(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-isopentyloxy-3-methoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-isoamoxy-3-methoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acrylamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H23N3O5S/c1-14(2)10-11-30-18-8-4-15(12-19(18)29-3)5-9-21(26)24-22-23-17-7-6-16(25(27)28)13-20(17)31-22/h4-9,12-14H,10-11H2,1-3H3,(H,23,24,26)/b9-5+