(1R,6R)-6-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C15H12ClN2O3S- MolecularWeight: 335.78538

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@H]([C@@H]1C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C15H13ClN2O3S/c16-8-5-6-11-12(7-8)22-15(17-11)18-13(19)9-3-1-2-4-10(9)14(20)21/h1-2,5-7,9-10H,3-4H2,(H,20,21)(H,17,18,19)/p-1/t9-,10-/m1/s1