ethyl 2-[6,7-bis(chloranyl)-2-methyl-4-oxidanyl-2,3-dihydrothiochromen-4-yl]ethanoate

Systemtic Name: ethyl 2-[6,7-bis(chloranyl)-2-methyl-4-oxidanyl-2,3-dihydrothiochromen-4-yl]ethanoate Openeye Name: ethyl 2-(6,7-dichloro-4-hydroxy-2-methyl-thiochroman-4-yl)acetate CAS Name: 2-(6,7-dichloro-4-hydroxy-2-methyl-2,3-dihydro-1-benzothiopyran-4-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(6,7-dichloro-4-hydroxy-2-methyl-2,3-dihydrothiochromen-4-yl)acetate Traditional Name: 2-(6,7-dichloro-4-hydroxy-2-methyl-thiochroman-4-yl)acetic acid ethyl ester Formula: C14H16Cl2O3S MolecularWeight: 335.24604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CC(SC2=CC(=C(C=C21)Cl)Cl)C)O

Isomeric SMILES

CCOC(=O)CC1(CC(SC2=CC(=C(C=C21)Cl)Cl)C)O

InChI

InChI=1S/C14H16Cl2O3S/c1-3-19-13(17)7-14(18)6-8(2)20-12-5-11(16)10(15)4-9(12)14/h4-5,8,18H,3,6-7H2,1-2H3