(E)-2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(6-bromo-2-oxo-chromen-3-yl)thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[4-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-3-(4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(6-bromo-2-keto-chromen-3-yl)thiazol-2-yl]-3-(4-methoxyphenyl)acrylonitrile Formula: C22H13BrN2O3S MolecularWeight: 465.31922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C22H13BrN2O3S/c1-27-17-5-2-13(3-6-17)8-15(11-24)21-25-19(12-29-21)18-10-14-9-16(23)4-7-20(14)28-22(18)26/h2-10,12H,1H3/b15-8+