(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(3,4,5-trimethoxyphenyl)amino]prop-2-enenitrile

Systemtic Name: (E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(3,4,5-trimethoxyphenyl)amino]prop-2-enenitrile Openeye Name: (E)-2-[4-(4-fluorophenyl)thiazol-2-yl]-3-(3,4,5-trimethoxyanilino)prop-2-enenitrile CAS Name: (E)-2-[4-(4-fluorophenyl)-2-thiazolyl]-3-(3,4,5-trimethoxyanilino)-2-propenenitrile IUPAC Name: (E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyanilino)prop-2-enenitrile Traditional Name: (E)-2-[4-(4-fluorophenyl)thiazol-2-yl]-3-(3,4,5-trimethoxyanilino)acrylonitrile Formula: C21H18FN3O3S MolecularWeight: 411.449323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FN3O3S/c1-26-18-8-16(9-19(27-2)20(18)28-3)24-11-14(10-23)21-25-17(12-29-21)13-4-6-15(22)7-5-13/h4-9,11-12,24H,1-3H3/b14-11+