6-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[2-(3,4-dimethoxyphenyl)ethylamino]thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(homoveratrylamino)thiazol-4-yl]-4H-1,4-benzoxazin-3-one Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)OC

InChI

InChI=1S/C21H21N3O4S/c1-26-18-5-3-13(9-19(18)27-2)7-8-22-21-24-16(12-29-21)14-4-6-17-15(10-14)23-20(25)11-28-17/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,22,24)(H,23,25)