(3E,5E)-3-ethoxycarbonyl-2,5-dimethyl-6-phenylsulfanyl-hexa-3,5-dienoic acid

Systemtic Name: (3E,5E)-3-ethoxycarbonyl-2,5-dimethyl-6-phenylsulfanyl-hexa-3,5-dienoic acid Openeye Name: (3E,5E)-3-ethoxycarbonyl-2,5-dimethyl-6-phenylsulfanyl-hexa-3,5-dienoic acid CAS Name: (3E,5E)-3-ethoxycarbonyl-2,5-dimethyl-6-(phenylthio)hexa-3,5-dienoic acid IUPAC Name: (3E,5E)-3-ethoxycarbonyl-2,5-dimethyl-6-phenylsulfanylhexa-3,5-dienoic acid Traditional Name: (3E,5E)-3-carbethoxy-2,5-dimethyl-6-(phenylthio)hexa-3,5-dienoic acid Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(=CSC1=CC=CC=C1)C)C(C)C(=O)O

Isomeric SMILES

CCOC(=O)/C(=C/C(=C/SC1=CC=CC=C1)/C)/C(C)C(=O)O

InChI

InChI=1S/C17H20O4S/c1-4-21-17(20)15(13(3)16(18)19)10-12(2)11-22-14-8-6-5-7-9-14/h5-11,13H,4H2,1-3H3,(H,18,19)/b12-11+,15-10+