S-[(E)-4-formamidobut-3-enyl] benzenecarbothioate

Systemtic Name: S-[(E)-4-formamidobut-3-enyl] benzenecarbothioate Openeye Name: S-[(E)-4-formamidobut-3-enyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(E)-4-formamidobut-3-enyl] ester IUPAC Name: S-[(E)-4-formamidobut-3-enyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(E)-4-formamidobut-3-enyl] ester Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCCC=CNC=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC/C=C/NC=O

InChI

InChI=1S/C12H13NO2S/c14-10-13-8-4-5-9-16-12(15)11-6-2-1-3-7-11/h1-4,6-8,10H,5,9H2,(H,13,14)/b8-4+