3-[4-methoxy-6-oxidanylidene-5-(3-thiophen-2-ylprop-2-ynyl)cyclohexa-1,3-dien-1-yl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[4-methoxy-6-oxidanylidene-5-(3-thiophen-2-ylprop-2-ynyl)cyclohexa-1,3-dien-1-yl]-2-propan-2-yloxy-propanoic acid Openeye Name: 2-isopropoxy-3-[4-methoxy-6-oxo-5-[3-(2-thienyl)prop-2-ynyl]cyclohexa-1,3-dien-1-yl]propanoic acid CAS Name: 3-[4-methoxy-6-oxo-5-(3-thiophen-2-ylprop-2-ynyl)-1-cyclohexa-1,3-dienyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[4-methoxy-6-oxo-5-(3-thiophen-2-ylprop-2-ynyl)cyclohexa-1,3-dien-1-yl]-2-propan-2-yloxypropanoic acid Traditional Name: 2-isopropoxy-3-[6-keto-4-methoxy-5-[3-(2-thienyl)prop-2-ynyl]cyclohexa-1,3-dien-1-yl]propionic acid Formula: C20H22O5S MolecularWeight: 374.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(CC1=CC=C(C(C1=O)CC#CC2=CC=CS2)OC)C(=O)O

Isomeric SMILES

CC(C)OC(CC1=CC=C(C(C1=O)CC#CC2=CC=CS2)OC)C(=O)O

InChI

InChI=1S/C20H22O5S/c1-13(2)25-18(20(22)23)12-14-9-10-17(24-3)16(19(14)21)8-4-6-15-7-5-11-26-15/h5,7,9-11,13,16,18H,8,12H2,1-3H3,(H,22,23)