S-[2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]ethyl] ester Formula: C16H19N3O4S3 MolecularWeight: 413.53476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(=O)SCC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C16H19N3O4S3/c1-11(20)24-10-15(21)18-5-7-19(8-6-18)16-17-13-4-3-12(26(2,22)23)9-14(13)25-16/h3-4,9H,5-8,10H2,1-2H3