S-(1,3-benzothiazol-2-yl) 2-(5-chloranyl-4,6-dimethyl-1-benzofuran-3-yl)ethanethioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 2-(5-chloranyl-4,6-dimethyl-1-benzofuran-3-yl)ethanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)ethanethioate CAS Name: 2-(5-chloro-4,6-dimethyl-3-benzofuranyl)ethanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethanethioate Traditional Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)ethanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C19H14ClNO2S2 MolecularWeight: 387.90296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1Cl)C)C(=CO2)CC(=O)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC2=C(C(=C1Cl)C)C(=CO2)CC(=O)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H14ClNO2S2/c1-10-7-14-17(11(2)18(10)20)12(9-23-14)8-16(22)25-19-21-13-5-3-4-6-15(13)24-19/h3-7,9H,8H2,1-2H3