(1R,6S)-6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[2-(2-phenylthiazol-4-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[oxo-[2-(2-phenyl-4-thiazolyl)ethylamino]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[2-(2-phenylthiazol-4-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Formula: C19H19N2O3S- MolecularWeight: 355.43076

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCCC2=CSC(=N2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@H]([C@H]1C(=O)NCCC2=CSC(=N2)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C19H20N2O3S/c22-17(15-8-4-5-9-16(15)19(23)24)20-11-10-14-12-25-18(21-14)13-6-2-1-3-7-13/h1-7,12,15-16H,8-11H2,(H,20,22)(H,23,24)/p-1/t15-,16+/m0/s1