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

Systemtic Name: (1S,2R)-2-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylcyclobutane-1-carboxylate Openeye Name: (1S,2R)-2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]cyclobutanecarboxylate CAS Name: (1S,2R)-2-[[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-1-cyclobutanecarboxylate IUPAC Name: (1S,2R)-2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]cyclobutane-1-carboxylate Traditional Name: (1S,2R)-2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]cyclobutanecarboxylate Formula: C17H17ClN3O3S- MolecularWeight: 378.85318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl)C(=O)[O-]

Isomeric SMILES

C1C[C@@H]([C@@H]1C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C17H18ClN3O3S/c18-10-1-4-13-14(9-10)25-17(19-13)21-7-5-20(6-8-21)15(22)11-2-3-12(11)16(23)24/h1,4,9,11-12H,2-3,5-8H2,(H,23,24)/p-1/t11-,12+/m1/s1