ethyl 2-[4-azanyl-3-cyano-5-(8-oxidanylquinolin-5-yl)carbonyl-thiophen-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-azanyl-3-cyano-5-(8-oxidanylquinolin-5-yl)carbonyl-thiophen-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[4-amino-3-cyano-5-(8-hydroxyquinoline-5-carbonyl)-2-thienyl]sulfanyl]acetate CAS Name: 2-[[4-amino-3-cyano-5-[(8-hydroxy-5-quinolinyl)-oxomethyl]-2-thiophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-amino-3-cyano-5-(8-hydroxyquinoline-5-carbonyl)thiophen-2-yl]sulfanylacetate Traditional Name: 2-[[4-amino-3-cyano-5-(8-hydroxyquinoline-5-carbonyl)-2-thienyl]thio]acetic acid ethyl ester Formula: C19H15N3O4S2 MolecularWeight: 413.4701

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=C(S1)C(=O)C2=C3C=CC=NC3=C(C=C2)O)N)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=C(S1)C(=O)C2=C3C=CC=NC3=C(C=C2)O)N)C#N

InChI

InChI=1S/C19H15N3O4S2/c1-2-26-14(24)9-27-19-12(8-20)15(21)18(28-19)17(25)11-5-6-13(23)16-10(11)4-3-7-22-16/h3-7,23H,2,9,21H2,1H3