S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 3-phenylbutanethioate

Systemtic Name: S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 3-phenylbutanethioate Openeye Name: S-(1-carbamoylvinyl) 3-phenylbutanethioate CAS Name: 3-phenylbutanethioic acid S-(3-amino-3-oxoprop-1-en-2-yl) ester IUPAC Name: S-(3-amino-3-oxoprop-1-en-2-yl) 3-phenylbutanethioate Traditional Name: 3-phenylbutanethioic acid S-(1-carbamoylvinyl) ester Formula: C13H15NO2S MolecularWeight: 249.3287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)SC(=C)C(=O)N)C1=CC=CC=C1

Isomeric SMILES

CC(CC(=O)SC(=C)C(=O)N)C1=CC=CC=C1

InChI

InChI=1S/C13H15NO2S/c1-9(11-6-4-3-5-7-11)8-12(15)17-10(2)13(14)16/h3-7,9H,2,8H2,1H3,(H2,14,16)