O-[[(E)-3-(phenylsulfonyl)prop-2-enoyl]amino] pentanethioate

Systemtic Name: O-[[(E)-3-(phenylsulfonyl)prop-2-enoyl]amino] pentanethioate Openeye Name: O-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]amino] pentanethioate CAS Name: pentanethioic acid O-[[(E)-3-(benzenesulfonyl)-1-oxoprop-2-enyl]amino] ester IUPAC Name: O-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]amino] pentanethioate Traditional Name: pentanethioic acid O-[[(E)-3-besylacryloyl]amino] ester Formula: C14H17NO4S2 MolecularWeight: 327.41908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=S)ONC(=O)C=CS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCC(=S)ONC(=O)/C=C/S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H17NO4S2/c1-2-3-9-14(20)19-15-13(16)10-11-21(17,18)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,15,16)/b11-10+