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

Systemtic Name: (1S,6R)-6-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[[4-(4-butylphenyl)thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[[4-(4-butylphenyl)-2-thiazolyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[[4-(4-butylphenyl)thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C21H23N2O3S- MolecularWeight: 383.48392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C21H24N2O3S/c1-2-3-6-14-9-11-15(12-10-14)18-13-27-21(22-18)23-19(24)16-7-4-5-8-17(16)20(25)26/h4-5,9-13,16-17H,2-3,6-8H2,1H3,(H,25,26)(H,22,23,24)/p-1/t16-,17+/m1/s1