(E)-3-[4-cyclohexyl-5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)pyrrol-2-yl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[4-cyclohexyl-5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)pyrrol-2-yl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[4-cyclohexyl-5-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]-1-(2-morpholino-2-oxo-ethyl)pyrrol-2-yl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[4-cyclohexyl-5-[2-(2,4-dimethyl-5-thiazolyl)-6-quinolinyl]-1-[2-(4-morpholinyl)-2-oxoethyl]-2-pyrrolyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[4-cyclohexyl-5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)pyrrol-2-yl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[4-cyclohexyl-5-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]-1-(2-keto-2-morpholino-ethyl)pyrrol-2-yl]-2-methyl-acrylic acid Formula: C34H38N4O4S MolecularWeight: 598.75492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C2=NC3=C(C=C2)C=C(C=C3)C4=C(C=C(N4CC(=O)N5CCOCC5)C=C(C)C(=O)O)C6CCCCC6

Isomeric SMILES

CC1=C(SC(=N1)C)C2=NC3=C(C=C2)C=C(C=C3)C4=C(C=C(N4CC(=O)N5CCOCC5)/C=C(\C)/C(=O)O)C6CCCCC6

InChI

InChI=1S/C34H38N4O4S/c1-21(34(40)41)17-27-19-28(24-7-5-4-6-8-24)32(38(27)20-31(39)37-13-15-42-16-14-37)26-10-11-29-25(18-26)9-12-30(36-29)33-22(2)35-23(3)43-33/h9-12,17-19,24H,4-8,13-16,20H2,1-3H3,(H,40,41)/b21-17+