(5-methyl-2-oxidanylidene-oxolan-3-yl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: (5-methyl-2-oxidanylidene-oxolan-3-yl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: (5-methyl-2-oxo-tetrahydrofuran-3-yl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid (5-methyl-2-oxo-3-oxolanyl) ester IUPAC Name: (5-methyl-2-oxooxolan-3-yl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid (2-keto-5-methyl-tetrahydrofuran-3-yl) ester Formula: C20H17NO4S2 MolecularWeight: 399.48328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)OC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1CC(C(=O)O1)OC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17NO4S2/c1-12-10-16(19(23)24-12)25-18(22)14-8-6-13(7-9-14)11-26-20-21-15-4-2-3-5-17(15)27-20/h2-9,12,16H,10-11H2,1H3