2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile Openeye Name: 2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-(6-quinolylamino)prop-2-enenitrile CAS Name: 2-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-3-(6-quinolinylamino)-2-propenenitrile IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile Traditional Name: 2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-(6-quinolylamino)acrylonitrile Formula: C23H18N4O2S MolecularWeight: 414.47962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)C(=CNC3=CC4=C(C=C3)N=CC=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)C(=CNC3=CC4=C(C=C3)N=CC=C4)C#N)OC

InChI

InChI=1S/C23H18N4O2S/c1-28-21-8-5-16(11-22(21)29-2)20-14-30-23(27-20)17(12-24)13-26-18-6-7-19-15(10-18)4-3-9-25-19/h3-11,13-14,26H,1-2H3