ethyl (5S)-2-[(3-ethoxycarbonyl-4-phenyl-quinolin-2-yl)methylsulfanyl]-4-oxidanylidene-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl (5S)-2-[(3-ethoxycarbonyl-4-phenyl-quinolin-2-yl)methylsulfanyl]-4-oxidanylidene-1,3-thiazole-5-carboxylate Openeye Name: ethyl (5S)-2-[(3-ethoxycarbonyl-4-phenyl-2-quinolyl)methylsulfanyl]-4-oxo-thiazole-5-carboxylate CAS Name: (5S)-2-[(3-ethoxycarbonyl-4-phenyl-2-quinolinyl)methylthio]-4-oxo-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl (5S)-2-[(3-ethoxycarbonyl-4-phenylquinolin-2-yl)methylsulfanyl]-4-oxo-1,3-thiazole-5-carboxylate Traditional Name: (5S)-2-[(3-carbethoxy-4-phenyl-2-quinolyl)methylthio]-4-keto-2-thiazoline-5-carboxylic acid ethyl ester Formula: C25H22N2O5S2 MolecularWeight: 494.58258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=O)N=C(S1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@H]1C(=O)N=C(S1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O5S2/c1-3-31-23(29)20-18(14-33-25-27-22(28)21(34-25)24(30)32-4-2)26-17-13-9-8-12-16(17)19(20)15-10-6-5-7-11-15/h5-13,21H,3-4,14H2,1-2H3/t21-/m0/s1