2-oxidanylidene-2-[4-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]but-3-yn-2-ylamino]ethanoic acid

Systemtic Name: 2-oxidanylidene-2-[4-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]but-3-yn-2-ylamino]ethanoic acid Openeye Name: 2-[[3-[2-(4-isopropoxyphenoxy)thiazol-5-yl]-1-methyl-prop-2-ynyl]amino]-2-oxo-acetic acid CAS Name: 2-oxo-2-[4-[2-(4-propan-2-yloxyphenoxy)-5-thiazolyl]but-3-yn-2-ylamino]acetic acid IUPAC Name: 2-oxo-2-[4-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]but-3-yn-2-ylamino]acetic acid Traditional Name: 2-[[3-[2-(4-isopropoxyphenoxy)thiazol-5-yl]-1-methyl-prop-2-ynyl]amino]-2-keto-acetic acid Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)OC2=NC=C(S2)C#CC(C)NC(=O)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)OC2=NC=C(S2)C#CC(C)NC(=O)C(=O)O

InChI

InChI=1S/C18H18N2O5S/c1-11(2)24-13-5-7-14(8-6-13)25-18-19-10-15(26-18)9-4-12(3)20-16(21)17(22)23/h5-8,10-12H,1-3H3,(H,20,21)(H,22,23)