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

Systemtic Name: (1S,6S)-6-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[4-(2-methylthiazol-4-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[4-(2-methyl-4-thiazolyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[4-(2-methylthiazol-4-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C18H17N2O3S- MolecularWeight: 341.40418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C18H18N2O3S/c1-11-19-16(10-24-11)12-6-8-13(9-7-12)20-17(21)14-4-2-3-5-15(14)18(22)23/h2-3,6-10,14-15H,4-5H2,1H3,(H,20,21)(H,22,23)/p-1/t14-,15-/m0/s1