2-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]amino]-2-[3-(methylsulfanylmethyl)-4-oxidanyl-phenyl]ethanoic acid

Systemtic Name: 2-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]amino]-2-[3-(methylsulfanylmethyl)-4-oxidanyl-phenyl]ethanoic acid Openeye Name: 2-[[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]amino]-2-[4-hydroxy-3-(methylsulfanylmethyl)phenyl]acetic acid CAS Name: 2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-[4-hydroxy-3-[(methylthio)methyl]phenyl]acetic acid IUPAC Name: 2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-[4-hydroxy-3-(methylsulfanylmethyl)phenyl]acetic acid Traditional Name: 2-[[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]amino]-2-[4-hydroxy-3-[(methylthio)methyl]phenyl]acetic acid Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(C1=CC(=C(C=C1)O)CSC)C(=O)O

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(C1=CC(=C(C=C1)O)CSC)C(=O)O

InChI

InChI=1S/C16H21NO5S/c1-4-22-14(19)7-10(2)17-15(16(20)21)11-5-6-13(18)12(8-11)9-23-3/h5-8,15,17-18H,4,9H2,1-3H3,(H,20,21)/b10-7+