2-[4-[(E)-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(E)-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(E)-3-oxo-3-(3-pyridylmethylamino)prop-1-enyl]phenyl]sulfanylacetic acid CAS Name: 2-[[4-[(E)-3-oxo-3-(3-pyridinylmethylamino)prop-1-enyl]phenyl]thio]acetic acid IUPAC Name: 2-[4-[(E)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(E)-3-keto-3-(3-pyridylmethylamino)prop-1-enyl]phenyl]thio]acetic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)C=CC2=CC=C(C=C2)SCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)/C=C/C2=CC=C(C=C2)SCC(=O)O

InChI

InChI=1S/C17H16N2O3S/c20-16(19-11-14-2-1-9-18-10-14)8-5-13-3-6-15(7-4-13)23-12-17(21)22/h1-10H,11-12H2,(H,19,20)(H,21,22)/b8-5+