2-[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanylbenzoic acid Openeye Name: 2-[2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl]sulfanylbenzoic acid CAS Name: 2-[[2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl]thio]benzoic acid IUPAC Name: 2-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl]thio]benzoic acid Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)CSC3=CC=CC=C3C(=O)O)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=CC(=O)CSC3=CC=CC=C3C(=O)O)C)C

InChI

InChI=1S/C21H21NO3S/c1-21(2)16-9-5-6-10-17(16)22(3)19(21)12-14(23)13-26-18-11-7-4-8-15(18)20(24)25/h4-12H,13H2,1-3H3,(H,24,25)