2-[[(4R)-3-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinolin-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[(4R)-3-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinolin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[(4R)-3-cyano-4-(4-hydroxy-3-methoxy-phenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinolin-2-yl]sulfanyl]acetamide CAS Name: 2-[[(4R)-3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinolin-2-yl]thio]acetamide IUPAC Name: 2-[[(4R)-3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinolin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[(4R)-3-cyano-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-4,6,7,8-tetrahydro-3H-quinolin-2-yl]thio]acetamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(=NC3=C2C(=O)CCC3)SCC(=O)N)C#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H]2C(C(=NC3=C2C(=O)CCC3)SCC(=O)N)C#N)O

InChI

InChI=1S/C19H19N3O4S/c1-26-15-7-10(5-6-13(15)23)17-11(8-20)19(27-9-16(21)25)22-12-3-2-4-14(24)18(12)17/h5-7,11,17,23H,2-4,9H2,1H3,(H2,21,25)/t11?,17-/m0/s1