O-benzamido 2-oxidanyl-3-phenyl-propanethioate

Systemtic Name: O-benzamido 2-oxidanyl-3-phenyl-propanethioate Openeye Name: O-benzamido 2-hydroxy-3-phenyl-propanethioate CAS Name: 2-hydroxy-3-phenylpropanethioic acid O-benzamido ester IUPAC Name: O-benzamido 2-hydroxy-3-phenylpropanethioate Traditional Name: 2-hydroxy-3-phenyl-propanethioic acid O-benzamido ester Formula: C16H15NO3S MolecularWeight: 301.3602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=S)ONC(=O)C2=CC=CC=C2)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=S)ONC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C16H15NO3S/c18-14(11-12-7-3-1-4-8-12)16(21)20-17-15(19)13-9-5-2-6-10-13/h1-10,14,18H,11H2,(H,17,19)