2-[[5-(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 2-[[5-(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 2-[[5-(5-bromo-2-oxo-indolin-3-ylidene)-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 2-[[5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 2-[[5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 2-[[5-(5-bromo-2-keto-indolin-3-ylidene)-4-keto-2-thiazolin-2-yl]amino]benzoic acid Formula: C18H10BrN3O4S MolecularWeight: 444.2587

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=NC(=O)C(=C3C4=C(C=CC(=C4)Br)NC3=O)S2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=NC(=O)C(=C3C4=C(C=CC(=C4)Br)NC3=O)S2

InChI

InChI=1S/C18H10BrN3O4S/c19-8-5-6-12-10(7-8)13(15(23)20-12)14-16(24)22-18(27-14)21-11-4-2-1-3-9(11)17(25)26/h1-7H,(H,20,23)(H,25,26)(H,21,22,24)