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

Systemtic Name: (E)-4-[[(2S)-3-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[(1S)-2-hydroxy-1-[(6-methoxy-2-methyl-4-quinolyl)sulfanylmethyl]-2-oxo-ethyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[(2S)-1-hydroxy-3-[(6-methoxy-2-methyl-4-quinolinyl)thio]-1-oxopropan-2-yl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[(2S)-1-hydroxy-3-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-1-oxopropan-2-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[(1S)-2-hydroxy-2-keto-1-[[(6-methoxy-2-methyl-4-quinolyl)thio]methyl]ethyl]amino]-4-keto-but-2-enoic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(C(=O)O)NC(=O)C=CC(=O)O

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SC[C@H](C(=O)O)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C18H18N2O6S/c1-10-7-15(12-8-11(26-2)3-4-13(12)19-10)27-9-14(18(24)25)20-16(21)5-6-17(22)23/h3-8,14H,9H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)/b6-5+/t14-/m1/s1