(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: (2-thioxo-1,3-benzothiazol-3-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl ester IUPAC Name: (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid (2-thioxo-1,3-benzothiazol-3-yl)methyl ester Formula: C16H15N3O2S3 MolecularWeight: 377.5042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCN2C3=CC=CC=C3SC2=S)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCN2C3=CC=CC=C3SC2=S)C

InChI

InChI=1S/C16H15N3O2S3/c1-10-7-11(2)18-15(17-10)23-8-14(20)21-9-19-12-5-3-4-6-13(12)24-16(19)22/h3-7H,8-9H2,1-2H3