3-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylpyrazine-2-carboxylate

Systemtic Name: 3-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylpyrazine-2-carboxylate Openeye Name: 3-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]pyrazine-2-carboxylate CAS Name: 3-[[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-2-pyrazinecarboxylate IUPAC Name: 3-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]pyrazine-2-carboxylate Traditional Name: 3-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]pyrazinate Formula: C17H13ClN5O3S- MolecularWeight: 402.83482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)C4=NC=CN=C4C(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)C4=NC=CN=C4C(=O)[O-]

InChI

InChI=1S/C17H14ClN5O3S/c18-10-1-2-11-12(9-10)27-17(21-11)23-7-5-22(6-8-23)15(24)13-14(16(25)26)20-4-3-19-13/h1-4,9H,5-8H2,(H,25,26)/p-1