2-[(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)sulfanylmethyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)sulfanylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(3-ethoxy-2-ethoxycarbonyl-3-oxo-propyl)sulfanyl-propanoic acid CAS Name: 2-[[(3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)thio]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)sulfanylpropanoic acid Traditional Name: 2-benzyl-3-[(2-carbethoxy-3-ethoxy-3-keto-propyl)thio]propionic acid Formula: C18H24O6S MolecularWeight: 368.44456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC(CC1=CC=CC=C1)C(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CSCC(CC1=CC=CC=C1)C(=O)O)C(=O)OCC

InChI

InChI=1S/C18H24O6S/c1-3-23-17(21)15(18(22)24-4-2)12-25-11-14(16(19)20)10-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3,(H,19,20)