3-phenyl-2-(prop-2-enoxycarbonylamino)propanethioic S-acid

Systemtic Name: 3-phenyl-2-(prop-2-enoxycarbonylamino)propanethioic S-acid Openeye Name: 2-(allyloxycarbonylamino)-3-phenyl-propanethioic S-acid CAS Name: 2-[[oxo(prop-2-enoxy)methyl]amino]-3-phenylpropanethioic S-acid IUPAC Name: 3-phenyl-2-(prop-2-enoxycarbonylamino)propanethioic S-acid Traditional Name: 2-(allyloxycarbonylamino)-3-phenyl-thiopropionic acid Formula: C13H15NO3S MolecularWeight: 265.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)NC(CC1=CC=CC=C1)C(=O)S

Isomeric SMILES

C=CCOC(=O)NC(CC1=CC=CC=C1)C(=O)S

InChI

InChI=1S/C13H15NO3S/c1-2-8-17-13(16)14-11(12(15)18)9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2,(H,14,16)(H,15,18)