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

Systemtic Name: S-[2-[4-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazino]-2-keto-ethyl] ester Formula: C16H18ClN3O3S2 MolecularWeight: 399.91542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O3S2/c1-10(21)24-9-13(22)19-5-7-20(8-6-19)16-18-14-12(23-2)4-3-11(17)15(14)25-16/h3-4H,5-9H2,1-2H3