[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-oxidanylidenechromene-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C21H19NO5S MolecularWeight: 397.44426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C21H19NO5S/c23-19(22-11-6-12-28-16-8-2-1-3-9-16)14-26-20(24)17-13-15-7-4-5-10-18(15)27-21(17)25/h1-5,7-10,13H,6,11-12,14H2,(H,22,23)