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

Systemtic Name: O-methyl 2-[[(E)-3-(phenylsulfonyl)prop-2-enoyl]amino]pentanethioate Openeye Name: O-methyl 2-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]amino]pentanethioate CAS Name: 2-[[(E)-3-(benzenesulfonyl)-1-oxoprop-2-enyl]amino]pentanethioic acid O-methyl ester IUPAC Name: O-methyl 2-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]amino]pentanethioate Traditional Name: 2-[[(E)-3-besylacryloyl]amino]pentanethioic acid O-methyl ester Formula: C15H19NO4S2 MolecularWeight: 341.44566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=S)OC)NC(=O)C=CS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCC(C(=S)OC)NC(=O)/C=C/S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H19NO4S2/c1-3-7-13(15(21)20-2)16-14(17)10-11-22(18,19)12-8-5-4-6-9-12/h4-6,8-11,13H,3,7H2,1-2H3,(H,16,17)/b11-10+