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

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[(3,5-dimethylisoxazol-4-yl)methylsulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[(3,5-dimethyl-4-isoxazolyl)methylthio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[(3,5-dimethylisoxazol-4-yl)methylthio]methyl]-7-methyl-coumarin Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC3=C(ON=C3C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC3=C(ON=C3C)C

InChI

InChI=1S/C17H17NO3S/c1-10-4-5-14-13(7-17(19)20-16(14)6-10)8-22-9-15-11(2)18-21-12(15)3/h4-7H,8-9H2,1-3H3