3-[(2S,3R,4R)-6-azanyl-2-(diethoxymethyl)-2-methyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[(2S,3R,4R)-6-azanyl-2-(diethoxymethyl)-2-methyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-1,3-benzoxazole-2-thione Openeye Name: 3-[(2S,3R,4R)-6-amino-2-(diethoxymethyl)-3-hydroxy-2-methyl-chroman-4-yl]-1,3-benzoxazole-2-thione CAS Name: 3-[(2S,3R,4R)-6-amino-2-(diethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[(2S,3R,4R)-6-amino-2-(diethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydrochromen-4-yl]-1,3-benzoxazole-2-thione Traditional Name: 3-[(2S,3R,4R)-6-amino-2-(diethoxymethyl)-3-hydroxy-2-methyl-chroman-4-yl]-1,3-benzoxazole-2-thione Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1(C(C(C2=C(O1)C=CC(=C2)N)N3C4=CC=CC=C4OC3=S)O)C)OCC

Isomeric SMILES

CCOC([C@@]1([C@@H]([C@@H](C2=C(O1)C=CC(=C2)N)N3C4=CC=CC=C4OC3=S)O)C)OCC

InChI

InChI=1S/C22H26N2O5S/c1-4-26-20(27-5-2)22(3)19(25)18(14-12-13(23)10-11-16(14)29-22)24-15-8-6-7-9-17(15)28-21(24)30/h6-12,18-20,25H,4-5,23H2,1-3H3/t18-,19-,22+/m1/s1