methyl 2-[(3S)-4-oxidanylidene-2,3-dihydrothiochromen-3-yl]ethanoate

Systemtic Name: methyl 2-[(3S)-4-oxidanylidene-2,3-dihydrothiochromen-3-yl]ethanoate Openeye Name: methyl 2-[(3S)-4-oxothiochroman-3-yl]acetate CAS Name: 2-[(3S)-4-oxo-2,3-dihydro-1-benzothiopyran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S)-4-oxo-2,3-dihydrothiochromen-3-yl]acetate Traditional Name: 2-[(3S)-4-ketothiochroman-3-yl]acetic acid methyl ester Formula: C12H12O3S MolecularWeight: 236.28688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CSC2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)C[C@@H]1CSC2=CC=CC=C2C1=O

InChI

InChI=1S/C12H12O3S/c1-15-11(13)6-8-7-16-10-5-3-2-4-9(10)12(8)14/h2-5,8H,6-7H2,1H3/t8-/m1/s1