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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate Openeye Name: (6-chloro-7-methyl-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-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-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 (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CSCC3=C(ON=C3C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CSCC3=C(ON=C3C)C)Cl

InChI

InChI=1S/C19H18ClNO5S/c1-10-4-17-14(6-16(10)20)13(5-18(22)25-17)7-24-19(23)9-27-8-15-11(2)21-26-12(15)3/h4-6H,7-9H2,1-3H3