ethyl 3-oxidanylidene-2-[3-(phenylcarbonyl)-1H-isothiochromen-1-yl]butanoate

Systemtic Name: ethyl 3-oxidanylidene-2-[3-(phenylcarbonyl)-1H-isothiochromen-1-yl]butanoate Openeye Name: ethyl 2-(3-benzoyl-1H-isothiochromen-1-yl)-3-oxo-butanoate CAS Name: 2-(3-benzoyl-1H-2-benzothiopyran-1-yl)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(3-benzoyl-1H-isothiochromen-1-yl)-3-oxobutanoate Traditional Name: 2-(3-benzoyl-1H-isothiochromen-1-yl)-3-keto-butyric acid ethyl ester Formula: C22H20O4S MolecularWeight: 380.4568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1C2=CC=CC=C2C=C(S1)C(=O)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCOC(=O)C(C1C2=CC=CC=C2C=C(S1)C(=O)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C22H20O4S/c1-3-26-22(25)19(14(2)23)21-17-12-8-7-11-16(17)13-18(27-21)20(24)15-9-5-4-6-10-15/h4-13,19,21H,3H2,1-2H3