2-[(E)-but-2-enyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[(E)-but-2-enyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(E)-but-2-enyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(E)-but-2-enyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(E)-but-2-enyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(E)-but-2-enyl]thio]nicotinate Formula: C10H10NO2S- MolecularWeight: 208.2569

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCSC1=C(C=CC=N1)C(=O)[O-]

Isomeric SMILES

C/C=C/CSC1=C(C=CC=N1)C(=O)[O-]

InChI

InChI=1S/C10H11NO2S/c1-2-3-7-14-9-8(10(12)13)5-4-6-11-9/h2-6H,7H2,1H3,(H,12,13)/p-1/b3-2+