2-[4-(3,4-dimethylphenyl)-2-(pentanoylamino)-1,3-thiazol-5-yl]ethanoate

Systemtic Name: 2-[4-(3,4-dimethylphenyl)-2-(pentanoylamino)-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[4-(3,4-dimethylphenyl)-2-(pentanoylamino)thiazol-5-yl]acetate CAS Name: 2-[4-(3,4-dimethylphenyl)-2-(1-oxopentylamino)-5-thiazolyl]acetate IUPAC Name: 2-[4-(3,4-dimethylphenyl)-2-(pentanoylamino)-1,3-thiazol-5-yl]acetate Traditional Name: 2-[4-(3,4-dimethylphenyl)-2-(valerylamino)thiazol-5-yl]acetate Formula: C18H21N2O3S- MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=NC(=C(S1)CC(=O)[O-])C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCC(=O)NC1=NC(=C(S1)CC(=O)[O-])C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C18H22N2O3S/c1-4-5-6-15(21)19-18-20-17(14(24-18)10-16(22)23)13-8-7-11(2)12(3)9-13/h7-9H,4-6,10H2,1-3H3,(H,22,23)(H,19,20,21)/p-1