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

Systemtic Name: (E)-3-(2-methoxy-5-nitro-phenyl)-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: (E)-3-(2-methoxy-5-nitro-phenyl)-2-[4-(2-oxochromen-3-yl)thiazol-2-yl]prop-2-enenitrile CAS Name: (E)-3-(2-methoxy-5-nitrophenyl)-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-propenenitrile IUPAC Name: (E)-3-(2-methoxy-5-nitrophenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: (E)-2-[4-(2-ketochromen-3-yl)thiazol-2-yl]-3-(2-methoxy-5-nitro-phenyl)acrylonitrile Formula: C22H13N3O5S MolecularWeight: 431.42072

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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=CC4=CC=CC=C4OC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])/C=C(\C#N)/C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H13N3O5S/c1-29-19-7-6-16(25(27)28)9-14(19)8-15(11-23)21-24-18(12-31-21)17-10-13-4-2-3-5-20(13)30-22(17)26/h2-10,12H,1H3/b15-8+