(E)-2-ethoxycarbonyl-3-(phenylsulfanylcarbonylamino)prop-2-enoic acid

Systemtic Name: (E)-2-ethoxycarbonyl-3-(phenylsulfanylcarbonylamino)prop-2-enoic acid Openeye Name: (E)-2-ethoxycarbonyl-3-(phenylsulfanylcarbonylamino)prop-2-enoic acid CAS Name: (E)-2-ethoxycarbonyl-3-[[oxo-(phenylthio)methyl]amino]-2-propenoic acid IUPAC Name: (E)-2-ethoxycarbonyl-3-(phenylsulfanylcarbonylamino)prop-2-enoic acid Traditional Name: (E)-2-carbethoxy-3-[(phenylthio)carbonylamino]acrylic acid Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5S/c1-2-19-12(17)10(11(15)16)8-14-13(18)20-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,18)(H,15,16)/b10-8+