(E)-3-(4-methoxyphenyl)-2-[4-(1-oxidanylideneisochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: (E)-3-(4-methoxyphenyl)-2-[4-(1-oxidanylideneisochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: (E)-3-(4-methoxyphenyl)-2-[4-(1-oxoisochromen-3-yl)thiazol-2-yl]prop-2-enenitrile CAS Name: (E)-3-(4-methoxyphenyl)-2-[4-(1-oxo-2-benzopyran-3-yl)-2-thiazolyl]-2-propenenitrile IUPAC Name: (E)-3-(4-methoxyphenyl)-2-[4-(1-oxoisochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: (E)-2-[4-(1-ketoisochromen-3-yl)thiazol-2-yl]-3-(4-methoxyphenyl)acrylonitrile Formula: C22H14N2O3S MolecularWeight: 386.42316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C22H14N2O3S/c1-26-17-8-6-14(7-9-17)10-16(12-23)21-24-19(13-28-21)20-11-15-4-2-3-5-18(15)22(25)27-20/h2-11,13H,1H3/b16-10+