3-[[3-ethanoylsulfanyl-2-(phenylmethyl)butanoyl]amino]benzoic acid

Systemtic Name: 3-[[3-ethanoylsulfanyl-2-(phenylmethyl)butanoyl]amino]benzoic acid Openeye Name: 3-[(3-acetylsulfanyl-2-benzyl-butanoyl)amino]benzoic acid CAS Name: 3-[[3-(acetylthio)-1-oxo-2-(phenylmethyl)butyl]amino]benzoic acid IUPAC Name: 3-[(3-acetylsulfanyl-2-benzylbutanoyl)amino]benzoic acid Traditional Name: 3-[[3-(acetylthio)-2-benzyl-butanoyl]amino]benzoic acid Formula: C20H21NO4S MolecularWeight: 371.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)SC(=O)C

Isomeric SMILES

CC(C(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)SC(=O)C

InChI

InChI=1S/C20H21NO4S/c1-13(26-14(2)22)18(11-15-7-4-3-5-8-15)19(23)21-17-10-6-9-16(12-17)20(24)25/h3-10,12-13,18H,11H2,1-2H3,(H,21,23)(H,24,25)