ethyl 3-[3-(cyanomethyl)cyclobutyl]-3-oxidanylidene-2-(9-sulfanylidenexanthen-1-yl)propanoate

Systemtic Name: ethyl 3-[3-(cyanomethyl)cyclobutyl]-3-oxidanylidene-2-(9-sulfanylidenexanthen-1-yl)propanoate Openeye Name: ethyl 3-[3-(cyanomethyl)cyclobutyl]-3-oxo-2-(9-thioxoxanthen-1-yl)propanoate CAS Name: 3-[3-(cyanomethyl)cyclobutyl]-3-oxo-2-(9-sulfanylidene-1-xanthenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(cyanomethyl)cyclobutyl]-3-oxo-2-(9-sulfanylidenexanthen-1-yl)propanoate Traditional Name: 3-[3-(cyanomethyl)cyclobutyl]-3-keto-2-(9-thioxoxanthen-1-yl)propionic acid ethyl ester Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C2C(=CC=C1)OC3=CC=CC=C3C2=S)C(=O)C4CC(C4)CC#N

Isomeric SMILES

CCOC(=O)C(C1=C2C(=CC=C1)OC3=CC=CC=C3C2=S)C(=O)C4CC(C4)CC#N

InChI

InChI=1S/C24H21NO4S/c1-2-28-24(27)21(22(26)15-12-14(13-15)10-11-25)17-7-5-9-19-20(17)23(30)16-6-3-4-8-18(16)29-19/h3-9,14-15,21H,2,10,12-13H2,1H3