1H-azepin-2-ylmethylsulfanyl ethanoate

Systemtic Name: 1H-azepin-2-ylmethylsulfanyl ethanoate Openeye Name: 1H-azepin-2-ylmethylsulfanyl acetate CAS Name: acetic acid (1H-azepin-2-ylmethylthio) ester IUPAC Name: 1H-azepin-2-ylmethylsulfanyl acetate Traditional Name: acetic acid (1H-azepin-2-ylmethylthio) ester Formula: C9H11NO2S MolecularWeight: 197.25414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OSCC1=CC=CC=CN1

Isomeric SMILES

CC(=O)OSCC1=CC=CC=CN1

InChI

InChI=1S/C9H11NO2S/c1-8(11)12-13-7-9-5-3-2-4-6-10-9/h2-6,10H,7H2,1H3