(E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methoxy-5-nitro-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methoxy-5-nitro-phenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-(2-methoxy-5-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-3-(2-methoxy-5-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methoxy-5-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-(2-methoxy-5-nitro-phenyl)acrylonitrile Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C=C(C#N)C2=NC(=CS2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])/C=C(\C#N)/C2=NC(=CS2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H17N3O5S/c1-27-18-7-5-16(24(25)26)9-14(18)8-15(11-22)21-23-17(12-30-21)13-4-6-19(28-2)20(10-13)29-3/h4-10,12H,1-3H3/b15-8+