2-[5-[(E)-4-(diethylamino)-4-oxidanylidene-but-2-en-2-yl]-2-(phenylmethylsulfanyl)phenoxy]ethanoic acid

Systemtic Name: 2-[5-[(E)-4-(diethylamino)-4-oxidanylidene-but-2-en-2-yl]-2-(phenylmethylsulfanyl)phenoxy]ethanoic acid Openeye Name: 2-[2-benzylsulfanyl-5-[(E)-3-(diethylamino)-1-methyl-3-oxo-prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[5-[(E)-4-(diethylamino)-4-oxobut-2-en-2-yl]-2-(phenylmethylthio)phenoxy]acetic acid IUPAC Name: 2-[2-benzylsulfanyl-5-[(E)-4-(diethylamino)-4-oxobut-2-en-2-yl]phenoxy]acetic acid Traditional Name: 2-[2-(benzylthio)-5-[(E)-3-(diethylamino)-3-keto-1-methyl-prop-1-enyl]phenoxy]acetic acid Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C=C(C)C1=CC(=C(C=C1)SCC2=CC=CC=C2)OCC(=O)O

Isomeric SMILES

CCN(CC)C(=O)/C=C(\C)/C1=CC(=C(C=C1)SCC2=CC=CC=C2)OCC(=O)O

InChI

InChI=1S/C23H27NO4S/c1-4-24(5-2)22(25)13-17(3)19-11-12-21(20(14-19)28-15-23(26)27)29-16-18-9-7-6-8-10-18/h6-14H,4-5,15-16H2,1-3H3,(H,26,27)/b17-13+