1,3-benzothiazol-2-ylmethyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H16N2O3S2 MolecularWeight: 396.48264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H16N2O3S2/c1-13-10-14(22-25-13)12-26-17-8-4-2-6-15(17)20(23)24-11-19-21-16-7-3-5-9-18(16)27-19/h2-10H,11-12H2,1H3