(1S,2S)-2-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]cyclopropane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]cyclopropane-1-carboxylate Openeye Name: (1S,2S)-2-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-cyclopropanecarboxylate IUPAC Name: (1S,2S)-2-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]cyclopropanecarboxylate Formula: C12H8ClN2O3S- MolecularWeight: 295.72152

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)[O-])C(=O)NC2=NC3=C(S2)C=CC=C3Cl

Isomeric SMILES

C1[C@@H]([C@H]1C(=O)[O-])C(=O)NC2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C12H9ClN2O3S/c13-7-2-1-3-8-9(7)14-12(19-8)15-10(16)5-4-6(5)11(17)18/h1-3,5-6H,4H2,(H,17,18)(H,14,15,16)/p-1/t5-,6-/m0/s1