2-[(3Z)-6-methoxy-2-methyl-3-[methylsulfanyl(phenyl)methylidene]inden-1-yl]propanoic acid

Systemtic Name: 2-[(3Z)-6-methoxy-2-methyl-3-[methylsulfanyl(phenyl)methylidene]inden-1-yl]propanoic acid Openeye Name: 2-[(3Z)-6-methoxy-2-methyl-3-[methylsulfanyl(phenyl)methylene]inden-1-yl]propanoic acid CAS Name: 2-[(3Z)-6-methoxy-2-methyl-3-[(methylthio)-phenylmethylidene]-1-indenyl]propanoic acid IUPAC Name: 2-[(3Z)-6-methoxy-2-methyl-3-[methylsulfanyl(phenyl)methylidene]inden-1-yl]propanoic acid Traditional Name: 2-[(3Z)-6-methoxy-2-methyl-3-[(methylthio)-phenyl-methylene]inden-1-yl]propionic acid Formula: C22H22O3S MolecularWeight: 366.47328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=C(C3=CC=CC=C3)SC)C=CC(=C2)OC)C(C)C(=O)O

Isomeric SMILES

CC\1=C(C2=C(/C1=C(/C3=CC=CC=C3)\SC)C=CC(=C2)OC)C(C)C(=O)O

InChI

InChI=1S/C22H22O3S/c1-13-19(14(2)22(23)24)18-12-16(25-3)10-11-17(18)20(13)21(26-4)15-8-6-5-7-9-15/h5-12,14H,1-4H3,(H,23,24)/b21-20-