5-(phenacylamino)pentanethioic S-acid

Systemtic Name: 5-(phenacylamino)pentanethioic S-acid Openeye Name: 5-(phenacylamino)pentanethioic S-acid CAS Name: 5-(phenacylamino)pentanethioic S-acid IUPAC Name: 5-(phenacylamino)pentanethioic S-acid Traditional Name: 5-(phenacylamino)thiovaleric acid Formula: C13H17NO2S MolecularWeight: 251.34458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CNCCCCC(=O)S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CNCCCCC(=O)S

InChI

InChI=1S/C13H17NO2S/c15-12(11-6-2-1-3-7-11)10-14-9-5-4-8-13(16)17/h1-3,6-7,14H,4-5,8-10H2,(H,16,17)