[2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-thiomorpholin-4-yl-methanone Openeye Name: [2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-thiomorpholino-methanone CAS Name: [2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-thiomorpholin-4-ylmethanone IUPAC Name: [2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-thiomorpholin-4-ylmethanone Traditional Name: thiomorpholino-(2-veratryl-1,3-benzoxazol-6-yl)methanone Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)N4CCSCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)N4CCSCC4)OC

InChI

InChI=1S/C21H22N2O4S/c1-25-17-6-3-14(11-19(17)26-2)12-20-22-16-5-4-15(13-18(16)27-20)21(24)23-7-9-28-10-8-23/h3-6,11,13H,7-10,12H2,1-2H3