3-[[5-[4-(2-bromoethyl)phenyl]-1,3-oxathiol-2-ylidene]amino]benzoic acid

Systemtic Name: 3-[[5-[4-(2-bromoethyl)phenyl]-1,3-oxathiol-2-ylidene]amino]benzoic acid Openeye Name: 3-[[5-[4-(2-bromoethyl)phenyl]-1,3-oxathiol-2-ylidene]amino]benzoic acid CAS Name: 3-[[5-[4-(2-bromoethyl)phenyl]-1,3-oxathiol-2-ylidene]amino]benzoic acid IUPAC Name: 3-[[5-[4-(2-bromoethyl)phenyl]-1,3-oxathiol-2-ylidene]amino]benzoic acid Traditional Name: 3-[[5-[4-(2-bromoethyl)phenyl]-1,3-oxathiol-2-ylidene]amino]benzoic acid Formula: C18H14BrNO3S MolecularWeight: 404.27766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N=C2OC(=CS2)C3=CC=C(C=C3)CCBr)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N=C2OC(=CS2)C3=CC=C(C=C3)CCBr)C(=O)O

InChI

InChI=1S/C18H14BrNO3S/c19-9-8-12-4-6-13(7-5-12)16-11-24-18(23-16)20-15-3-1-2-14(10-15)17(21)22/h1-7,10-11H,8-9H2,(H,21,22)