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

Systemtic Name: 3-[[5-[4-(2-bromoethyl)phenyl]-1,3-oxathiol-2-ylidene]amino]benzoate Openeye Name: 3-[[5-[4-(2-bromoethyl)phenyl]-1,3-oxathiol-2-ylidene]amino]benzoate CAS Name: 3-[[5-[4-(2-bromoethyl)phenyl]-1,3-oxathiol-2-ylidene]amino]benzoate IUPAC Name: 3-[[5-[4-(2-bromoethyl)phenyl]-1,3-oxathiol-2-ylidene]amino]benzoate Traditional Name: 3-[[5-[4-(2-bromoethyl)phenyl]-1,3-oxathiol-2-ylidene]amino]benzoate Formula: C18H13BrNO3S- MolecularWeight: 403.26972

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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)/p-1