(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H16ClFO4S MolecularWeight: 406.855043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCSC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCSC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C20H16ClFO4S/c1-12-8-18-16(10-17(12)21)13(9-20(24)26-18)11-25-19(23)6-7-27-15-4-2-14(22)3-5-15/h2-5,8-10H,6-7,11H2,1H3