3-[[5-[(1,2-dimethylindol-3-yl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 3-[[5-[(1,2-dimethylindol-3-yl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[5-[(1,2-dimethylindol-3-yl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 3-[[5-[(1,2-dimethyl-3-indolyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 3-[[5-[(1,2-dimethylindol-3-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[5-[(1,2-dimethylindol-3-yl)methylene]-4-keto-2-thiazolin-2-yl]amino]benzoic acid Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C=C3C(=O)N=C(S3)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)C=C3C(=O)N=C(S3)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H17N3O3S/c1-12-16(15-8-3-4-9-17(15)24(12)2)11-18-19(25)23-21(28-18)22-14-7-5-6-13(10-14)20(26)27/h3-11H,1-2H3,(H,26,27)(H,22,23,25)