2-[2-bromanyl-6-methoxy-4-(4-oxidanylidene-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenoxy]ethanoate

Systemtic Name: 2-[2-bromanyl-6-methoxy-4-(4-oxidanylidene-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenoxy]ethanoate Openeye Name: 2-[2-bromo-6-methoxy-4-(4-oxo-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)phenoxy]acetate CAS Name: 2-[2-bromo-6-methoxy-4-(4-oxo-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenoxy]acetate IUPAC Name: 2-[2-bromo-6-methoxy-4-(4-oxo-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenoxy]acetate Traditional Name: 2-[2-bromo-4-(4-keto-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)-6-methoxy-phenoxy]acetate Formula: C19H12BrN2O5S- MolecularWeight: 460.27798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=NC3=C(C4=CC=CC=C4S3)C(=O)N2)Br)OCC(=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=NC3=C(C4=CC=CC=C4S3)C(=O)N2)Br)OCC(=O)[O-]

InChI

InChI=1S/C19H13BrN2O5S/c1-26-12-7-9(6-11(20)16(12)27-8-14(23)24)17-21-18(25)15-10-4-2-3-5-13(10)28-19(15)22-17/h2-7H,8H2,1H3,(H,23,24)(H,21,22,25)/p-1