S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) oct-2-ynethioate

Systemtic Name: S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) oct-2-ynethioate Openeye Name: S-(1-carbamoylvinyl) oct-2-ynethioate CAS Name: 2-octynethioic acid S-(3-amino-3-oxoprop-1-en-2-yl) ester IUPAC Name: S-(3-amino-3-oxoprop-1-en-2-yl) oct-2-ynethioate Traditional Name: oct-2-ynethioic acid S-(1-carbamoylvinyl) ester Formula: C11H15NO2S MolecularWeight: 225.3073

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC(=O)SC(=C)C(=O)N

Isomeric SMILES

CCCCCC#CC(=O)SC(=C)C(=O)N

InChI

InChI=1S/C11H15NO2S/c1-3-4-5-6-7-8-10(13)15-9(2)11(12)14/h2-6H2,1H3,(H2,12,14)