4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)ethenyl]-1,3-thiazole

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)ethenyl]-1,3-thiazole Openeye Name: 4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)vinyl]thiazole CAS Name: 4-(3,4-dimethoxyphenyl)-2-[(E)-2-[3-nitro-4-(1-pyrrolidinyl)phenyl]ethenyl]thiazole IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-nitro-4-pyrrolidin-1-ylphenyl)ethenyl]-1,3-thiazole Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-nitro-4-pyrrolidino-phenyl)vinyl]thiazole Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)C=CC3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)/C=C/C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H23N3O4S/c1-29-21-9-7-17(14-22(21)30-2)18-15-31-23(24-18)10-6-16-5-8-19(20(13-16)26(27)28)25-11-3-4-12-25/h5-10,13-15H,3-4,11-12H2,1-2H3/b10-6+