6-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-1,3-benzoxazol-2-olate

Systemtic Name: 6-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-1,3-benzoxazol-2-olate Openeye Name: 6-[2-[2-(3,4-dimethoxyphenyl)ethylamino]thiazol-4-yl]-1,3-benzoxazol-2-olate CAS Name: 6-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-thiazolyl]-1,3-benzoxazol-2-olate IUPAC Name: 6-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-1,3-benzoxazol-2-olate Traditional Name: 6-[2-(homoveratrylamino)thiazol-4-yl]-1,3-benzoxazol-2-olate Formula: C20H18N3O4S- MolecularWeight: 396.43962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC(=CS2)C3=CC4=C(C=C3)N=C(O4)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC(=CS2)C3=CC4=C(C=C3)N=C(O4)[O-])OC

InChI

InChI=1S/C20H19N3O4S/c1-25-16-6-3-12(9-18(16)26-2)7-8-21-19-22-15(11-28-19)13-4-5-14-17(10-13)27-20(24)23-14/h3-6,9-11H,7-8H2,1-2H3,(H,21,22)(H,23,24)/p-1