[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 6-methyl-4-oxo-chromene-2-carboxylate CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 6-methyl-4-oxochromene-2-carboxylate Traditional Name: 4-keto-6-methyl-chromene-2-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C22H21NO5S/c1-15-8-9-19-17(12-15)18(24)13-20(28-19)22(26)27-14-21(25)23-10-5-11-29-16-6-3-2-4-7-16/h2-4,6-9,12-13H,5,10-11,14H2,1H3,(H,23,25)