2-benzamido-2-(2-phenylsulfanylethyl)propanedioate

Systemtic Name: 2-benzamido-2-(2-phenylsulfanylethyl)propanedioate Openeye Name: 2-benzamido-2-(2-phenylsulfanylethyl)propanedioate CAS Name: 2-benzamido-2-[2-(phenylthio)ethyl]propanedioate IUPAC Name: 2-benzamido-2-(2-phenylsulfanylethyl)propanedioate Traditional Name: 2-benzamido-2-[2-(phenylthio)ethyl]malonate Formula: C18H15NO5S-2 MolecularWeight: 357.3804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCSC2=CC=CC=C2)(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CCSC2=CC=CC=C2)(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H17NO5S/c20-15(13-7-3-1-4-8-13)19-18(16(21)22,17(23)24)11-12-25-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,20)(H,21,22)(H,23,24)/p-2