4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(3,5-dimethylisoxazol-4-yl)methylsulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[(3,5-dimethyl-4-isoxazolyl)methylthio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(3,5-dimethylisoxazol-4-yl)methylthio]methyl]-7,8-dimethyl-coumarin Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSCC3=C(ON=C3C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSCC3=C(ON=C3C)C)C

InChI

InChI=1S/C18H19NO3S/c1-10-5-6-15-14(7-17(20)21-18(15)11(10)2)8-23-9-16-12(3)19-22-13(16)4/h5-7H,8-9H2,1-4H3