(E)-3-(3-ethoxy-4-methoxy-phenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-2-[4-(3-nitrophenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-2-[4-(3-nitrophenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-2-[4-(3-nitrophenyl)thiazol-2-yl]acrylonitrile Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H17N3O4S/c1-3-28-20-10-14(7-8-19(20)27-2)9-16(12-22)21-23-18(13-29-21)15-5-4-6-17(11-15)24(25)26/h4-11,13H,3H2,1-2H3/b16-9+