2-[2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazino]-2-keto-ethyl]thio]acetic acid Formula: C15H16ClN3O3S2 MolecularWeight: 385.88884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=CC(=C3)Cl)C(=O)CSCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=CC(=C3)Cl)C(=O)CSCC(=O)O

InChI

InChI=1S/C15H16ClN3O3S2/c16-10-1-2-12-11(7-10)17-15(24-12)19-5-3-18(4-6-19)13(20)8-23-9-14(21)22/h1-2,7H,3-6,8-9H2,(H,21,22)