4-[[(4E)-3-oxidanylidene-4-(1,3,3-trimethylindol-2-ylidene)butan-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[(4E)-3-oxidanylidene-4-(1,3,3-trimethylindol-2-ylidene)butan-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[(3E)-1-methyl-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[(4E)-3-oxo-4-(1,3,3-trimethyl-2-indolylidene)butan-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[(4E)-3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butan-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[(3E)-2-keto-1-methyl-3-(1,3,3-trimethylindolin-2-ylidene)propyl]thio]methyl]benzoic acid Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C=C1C(C2=CC=CC=C2N1C)(C)C)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C(=O)/C=C/1\C(C2=CC=CC=C2N1C)(C)C)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H25NO3S/c1-15(28-14-16-9-11-17(12-10-16)22(26)27)20(25)13-21-23(2,3)18-7-5-6-8-19(18)24(21)4/h5-13,15H,14H2,1-4H3,(H,26,27)/b21-13+