4-(4,5-dihydro-1,3-oxazol-2-ylsulfanyl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-(4,5-dihydro-1,3-oxazol-2-ylsulfanyl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-(4,5-dihydrooxazol-2-ylsulfanyl)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-(4,5-dihydrooxazol-2-ylthio)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-(4,5-dihydro-1,3-oxazol-2-ylsulfanyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-2,2-dimethyl-4-(2-oxazolin-2-ylthio)chroman-6-carbonitrile Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)SC3=NCCO3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)SC3=NCCO3)O)C

InChI

InChI=1S/C15H16N2O3S/c1-15(2)13(18)12(21-14-17-5-6-19-14)10-7-9(8-16)3-4-11(10)20-15/h3-4,7,12-13,18H,5-6H2,1-2H3