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

Systemtic Name: (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-3-(3-hydroxy-4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(3-hydroxy-4-methoxy-phenyl)acrylonitrile Formula: C20H14N2O4S MolecularWeight: 378.40116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C20H14N2O4S/c1-24-17-4-2-12(7-16(17)23)6-14(9-21)20-22-15(10-27-20)13-3-5-18-19(8-13)26-11-25-18/h2-8,10,23H,11H2,1H3/b14-6+