ethyl 5-bromanyl-3-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]coumarilic acid ethyl ester Formula: C19H13BrClNO3S2 MolecularWeight: 482.79842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C19H13BrClNO3S2/c1-2-24-18(23)17-13(12-7-10(20)3-5-15(12)25-17)9-26-19-22-14-8-11(21)4-6-16(14)27-19/h3-8H,2,9H2,1H3