ethyl 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-propanoate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-propanoate Openeye Name: ethyl 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-2-methyl-propionic acid ethyl ester Formula: C13H15NO2S2 MolecularWeight: 281.3937

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCOC(=O)C(C)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H15NO2S2/c1-3-16-12(15)9(2)8-17-13-14-10-6-4-5-7-11(10)18-13/h4-7,9H,3,8H2,1-2H3