3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-3-oxidanylidene-propanoate

Systemtic Name: 3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-3-oxidanylidene-propanoate Openeye Name: 3-(4,4-dimethylthiochroman-6-yl)-3-oxo-propanoate CAS Name: 3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-3-oxopropanoate IUPAC Name: 3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-3-oxopropanoate Traditional Name: 3-(4,4-dimethylthiochroman-6-yl)-3-keto-propionate Formula: C14H15O3S- MolecularWeight: 263.3321

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C(=O)CC(=O)[O-])C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C(=O)CC(=O)[O-])C

InChI

InChI=1S/C14H16O3S/c1-14(2)5-6-18-12-4-3-9(7-10(12)14)11(15)8-13(16)17/h3-4,7H,5-6,8H2,1-2H3,(H,16,17)/p-1