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(E)-3-[4-(2-azanyl-3-sulfanyl-propanoyl)oxy-3-methoxy-phenyl]prop-2-enoic acid

(E)-3-[4-(2-azanyl-3-sulfanyl-propanoyl)oxy-3-methoxy-phenyl]prop-2-enoic acid

Systemtic Name:(E)-3-[4-(2-azanyl-3-sulfanyl-propanoyl)oxy-3-methoxy-phenyl]prop-2-enoic acid
Openeye Name:(E)-3-[4-(2-amino-3-sulfanyl-propanoyl)oxy-3-methoxy-phenyl]prop-2-enoic acid
CAS Name:(E)-3-[4-(2-amino-3-mercapto-1-oxopropoxy)-3-methoxyphenyl]-2-propenoic acid
IUPAC Name:(E)-3-[4-(2-amino-3-sulfanylpropanoyl)oxy-3-methoxyphenyl]prop-2-enoic acid
Traditional Name:(E)-3-[4-(2-amino-3-mercapto-propanoyl)oxy-3-methoxy-phenyl]acrylic acid
Formula: C13H15NO5S
MolecularWeight: 297.3269
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)O)OC(=O)C(CS)N


Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)O)OC(=O)C(CS)N


InChI

InChI=1S/C13H15NO5S/c1-18-11-6-8(3-5-12(15)16)2-4-10(11)19-13(17)9(14)7-20/h2-6,9,20H,7,14H2,1H3,(H,15,16)/b5-3+


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