(Z)-2-(phenylmethylsulfanyl)-3-pyridin-3-yl-prop-2-enoic acid

Systemtic Name: (Z)-2-(phenylmethylsulfanyl)-3-pyridin-3-yl-prop-2-enoic acid Openeye Name: (Z)-2-benzylsulfanyl-3-(3-pyridyl)prop-2-enoic acid CAS Name: (Z)-2-(phenylmethylthio)-3-(3-pyridinyl)-2-propenoic acid IUPAC Name: (Z)-2-benzylsulfanyl-3-pyridin-3-ylprop-2-enoic acid Traditional Name: (Z)-2-(benzylthio)-3-(3-pyridyl)acrylic acid Formula: C15H13NO2S MolecularWeight: 271.33422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=CC2=CN=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS/C(=C\C2=CN=CC=C2)/C(=O)O

InChI

InChI=1S/C15H13NO2S/c17-15(18)14(9-13-7-4-8-16-10-13)19-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,17,18)/b14-9-