3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-[4-(4-ethylphenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-[4-(4-ethylphenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-[4-(4-ethylphenyl)thiazol-2-yl]acrylonitrile Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=CC4=C(C=C3)OCCO4)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=CC4=C(C=C3)OCCO4)C#N

InChI

InChI=1S/C22H19N3O2S/c1-2-15-3-5-16(6-4-15)19-14-28-22(25-19)17(12-23)13-24-18-7-8-20-21(11-18)27-10-9-26-20/h3-8,11,13-14,24H,2,9-10H2,1H3