1,3-benzothiazol-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3S2/c1-13-16(14(2)26-23-13)12-27-18-9-5-3-7-15(18)21(24)25-11-20-22-17-8-4-6-10-19(17)28-20/h3-10H,11-12H2,1-2H3