[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2H-chromene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2H-chromene-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2H-chromene-3-carboxylate CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2H-chromene-3-carboxylate Traditional Name: 2H-chromene-3-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C21H21NO4S/c23-20(22-11-6-12-27-18-8-2-1-3-9-18)15-26-21(24)17-13-16-7-4-5-10-19(16)25-14-17/h1-5,7-10,13H,6,11-12,14-15H2,(H,22,23)