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

Systemtic Name: ethyl 4-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-oxidanylidene-butanoate Openeye Name: ethyl 4-(4,4-dimethylthiochroman-6-yl)-4-oxo-butanoate CAS Name: 4-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-4-oxobutanoate Traditional Name: 4-(4,4-dimethylthiochroman-6-yl)-4-keto-butyric acid ethyl ester Formula: C17H22O3S MolecularWeight: 306.41978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)C1=CC2=C(C=C1)SCCC2(C)C

Isomeric SMILES

CCOC(=O)CCC(=O)C1=CC2=C(C=C1)SCCC2(C)C

InChI

InChI=1S/C17H22O3S/c1-4-20-16(19)8-6-14(18)12-5-7-15-13(11-12)17(2,3)9-10-21-15/h5,7,11H,4,6,8-10H2,1-3H3