3-(3-methoxy-4-propoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: 3-(3-methoxy-4-propoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: 3-(3-methoxy-4-propoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: 3-(3-methoxy-4-propoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: 3-(3-methoxy-4-propoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: 3-(3-methoxy-4-propoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acrylamide Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H19N3O5S/c1-3-10-28-16-8-4-13(11-17(16)27-2)5-9-19(24)22-20-21-15-7-6-14(23(25)26)12-18(15)29-20/h4-9,11-12H,3,10H2,1-2H3,(H,21,22,24)