(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]acetic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CSCC3=C(ON=C3C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CSCC3=C(ON=C3C)C)C

InChI

InChI=1S/C20H21NO5S/c1-11-5-16-15(7-19(22)25-18(16)6-12(11)2)8-24-20(23)10-27-9-17-13(3)21-26-14(17)4/h5-7H,8-10H2,1-4H3