(E)-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(4-nitrophenyl)acrylamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC(=C(C=C2SC1=NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CCCN1C2=CC(=C(C=C2SC1=NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H21N3O5S/c1-4-11-23-16-12-17(28-2)18(29-3)13-19(16)30-21(23)22-20(25)10-7-14-5-8-15(9-6-14)24(26)27/h5-10,12-13H,4,11H2,1-3H3/b10-7+,22-21?