2-[5-bromanyl-3-(2-morpholin-4-yl-4-oxidanylidene-1,3-thiazol-5-ylidene)-2-oxidanylidene-indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-bromanyl-3-(2-morpholin-4-yl-4-oxidanylidene-1,3-thiazol-5-ylidene)-2-oxidanylidene-indol-1-yl]ethanoic acid Openeye Name: 2-[5-bromo-3-(2-morpholino-4-oxo-thiazol-5-ylidene)-2-oxo-indolin-1-yl]acetic acid CAS Name: 2-[5-bromo-3-[2-(4-morpholinyl)-4-oxo-5-thiazolylidene]-2-oxo-1-indolyl]acetic acid IUPAC Name: 2-[5-bromo-3-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]acetic acid Traditional Name: 2-[5-bromo-2-keto-3-(4-keto-2-morpholino-2-thiazolin-5-ylidene)indolin-1-yl]acetic acid Formula: C17H14BrN3O5S MolecularWeight: 452.27916

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=O)C(=C3C4=C(C=CC(=C4)Br)N(C3=O)CC(=O)O)S2

Isomeric SMILES

C1COCCN1C2=NC(=O)C(=C3C4=C(C=CC(=C4)Br)N(C3=O)CC(=O)O)S2

InChI

InChI=1S/C17H14BrN3O5S/c18-9-1-2-11-10(7-9)13(16(25)21(11)8-12(22)23)14-15(24)19-17(27-14)20-3-5-26-6-4-20/h1-2,7H,3-6,8H2,(H,22,23)