ethyl 3-(3-phenylquinolin-2-yl)sulfanylpropanoate; methanamine

Systemtic Name: ethyl 3-(3-phenylquinolin-2-yl)sulfanylpropanoate; methanamine Openeye Name: ethyl 3-[(3-phenyl-2-quinolyl)sulfanyl]propanoate; methanamine CAS Name: methanamine; 3-[(3-phenyl-2-quinolinyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-(3-phenylquinolin-2-yl)sulfanylpropanoate; methanamine Traditional Name: methylamine; 3-[(3-phenyl-2-quinolyl)thio]propionic acid ethyl ester Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NC2=CC=CC=C2C=C1C3=CC=CC=C3.CN

Isomeric SMILES

CCOC(=O)CCSC1=NC2=CC=CC=C2C=C1C3=CC=CC=C3.CN

InChI

InChI=1S/C20H19NO2S.CH5N/c1-2-23-19(22)12-13-24-20-17(15-8-4-3-5-9-15)14-16-10-6-7-11-18(16)21-20;1-2/h3-11,14H,2,12-13H2,1H3;2H2,1H3