[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-oxidanylidenechromene-2-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2

InChI

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