4-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethanoylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethanoylamino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]acetyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]acetyl]amino]methyl]cyclohexanecarboxylate Formula: C21H25N2O5S- MolecularWeight: 417.4986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)NCC3CCC(CC3)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)NCC3CCC(CC3)C(=O)[O-])OC

InChI

InChI=1S/C21H26N2O5S/c1-27-17-8-7-15(9-18(17)28-2)20-23-16(12-29-20)10-19(24)22-11-13-3-5-14(6-4-13)21(25)26/h7-9,12-14H,3-6,10-11H2,1-2H3,(H,22,24)(H,25,26)/p-1