S-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazino]-2-keto-ethyl] ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)N1CCN(CC1)C2=NC3=C(C=CC(=C3S2)OC)OC

Isomeric SMILES

CC(=O)SCC(=O)N1CCN(CC1)C2=NC3=C(C=CC(=C3S2)OC)OC

InChI

InChI=1S/C17H21N3O4S2/c1-11(21)25-10-14(22)19-6-8-20(9-7-19)17-18-15-12(23-2)4-5-13(24-3)16(15)26-17/h4-5H,6-10H2,1-3H3