(E)-4-[[(2R)-3-(6-ethoxy-2-methyl-quinolin-4-yl)sulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[(2R)-3-(6-ethoxy-2-methyl-quinolin-4-yl)sulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[(1R)-1-[(6-ethoxy-2-methyl-4-quinolyl)sulfanylmethyl]-2-hydroxy-2-oxo-ethyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[(2R)-3-[(6-ethoxy-2-methyl-4-quinolinyl)thio]-1-hydroxy-1-oxopropan-2-yl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[(2R)-3-(6-ethoxy-2-methylquinolin-4-yl)sulfanyl-1-hydroxy-1-oxopropan-2-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[(1R)-1-[[(6-ethoxy-2-methyl-4-quinolyl)thio]methyl]-2-hydroxy-2-keto-ethyl]amino]-4-keto-but-2-enoic acid Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C=C2SCC(C(=O)O)NC(=O)C=CC(=O)O)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C=C2SC[C@@H](C(=O)O)NC(=O)/C=C/C(=O)O)C

InChI

InChI=1S/C19H20N2O6S/c1-3-27-12-4-5-14-13(9-12)16(8-11(2)20-14)28-10-15(19(25)26)21-17(22)6-7-18(23)24/h4-9,15H,3,10H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)/b7-6+/t15-/m0/s1