(1S,6S)-6-(1,3-benzothiazol-2-ylcarbamoyl)-4-chloranyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-(1,3-benzothiazol-2-ylcarbamoyl)-4-chloranyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-(1,3-benzothiazol-2-ylcarbamoyl)-4-chloro-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-4-chloro-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-(1,3-benzothiazol-2-ylcarbamoyl)-4-chlorocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(1,3-benzothiazol-2-ylcarbamoyl)-4-chloro-cyclohex-3-ene-1-carboxylate Formula: C15H12ClN2O3S- MolecularWeight: 335.78538

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(C1C(=O)[O-])C(=O)NC2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

C1C=C(C[C@@H]([C@H]1C(=O)[O-])C(=O)NC2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C15H13ClN2O3S/c16-8-5-6-9(14(20)21)10(7-8)13(19)18-15-17-11-3-1-2-4-12(11)22-15/h1-5,9-10H,6-7H2,(H,20,21)(H,17,18,19)/p-1/t9-,10-/m0/s1