(3R,4R)-4-(1H-imidazol-2-ylsulfanyl)-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3R,4R)-4-(1H-imidazol-2-ylsulfanyl)-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3R,4R)-3-hydroxy-4-(1H-imidazol-2-ylsulfanyl)-2,2-bis(methoxymethyl)chromane-6-carbonitrile CAS Name: (3R,4R)-3-hydroxy-4-(1H-imidazol-2-ylthio)-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3R,4R)-3-hydroxy-4-(1H-imidazol-2-ylsulfanyl)-2,2-bis(methoxymethyl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3R,4R)-3-hydroxy-4-(1H-imidazol-2-ylthio)-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)SC3=NC=CN3)O)COC

Isomeric SMILES

COCC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)SC3=NC=CN3)O)COC

InChI

InChI=1S/C17H19N3O4S/c1-22-9-17(10-23-2)15(21)14(25-16-19-5-6-20-16)12-7-11(8-18)3-4-13(12)24-17/h3-7,14-15,21H,9-10H2,1-2H3,(H,19,20)/t14-,15+/m1/s1