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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H16N2O3S2 MolecularWeight: 348.43984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H16N2O3S2/c1-10-12(11(2)21-18-10)8-22-9-16(19)20-7-15-17-13-5-3-4-6-14(13)23-15/h3-6H,7-9H2,1-2H3