2-[(5E)-5-[(3-bromanyl-5-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid

Systemtic Name: 2-[(5E)-5-[(3-bromanyl-5-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[(5E)-5-[[3-bromo-5-methoxy-4-(thiophene-2-carbonyloxy)phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[(5E)-5-[[3-bromo-5-methoxy-4-[oxo(thiophen-2-yl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[(5E)-5-[[3-bromo-5-methoxy-4-(thiophene-2-carbonyloxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[(5E)-5-[3-bromo-5-methoxy-4-(2-thenoyloxy)benzylidene]-4-keto-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C18H12BrNO6S3 MolecularWeight: 514.38998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)Br)OC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)Br)OC(=O)C3=CC=CS3

InChI

InChI=1S/C18H12BrNO6S3/c1-25-11-6-9(7-13-16(23)20(8-14(21)22)18(27)29-13)5-10(19)15(11)26-17(24)12-3-2-4-28-12/h2-7H,8H2,1H3,(H,21,22)/b13-7+