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

Systemtic Name: (1S,6R)-6-(1,3-benzothiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-(1,3-benzothiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-(1,3-benzothiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-(1,3-benzothiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C15H13N2O3S- MolecularWeight: 301.34032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O3S/c18-13(9-5-1-2-6-10(9)14(19)20)17-15-16-11-7-3-4-8-12(11)21-15/h1-4,7-10H,5-6H2,(H,19,20)(H,16,17,18)/p-1/t9-,10+/m1/s1