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

Systemtic Name: ethyl 3-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]coumarilic acid ethyl ester Formula: C19H14ClNO3S2 MolecularWeight: 403.90236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C19H14ClNO3S2/c1-2-23-18(22)17-13(12-5-3-4-6-15(12)24-17)10-25-19-21-14-9-11(20)7-8-16(14)26-19/h3-9H,2,10H2,1H3