(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C

InChI

InChI=1S/C22H21NO5S/c1-14-3-6-18(7-4-14)29-10-9-21(25)27-13-16-11-22(26)28-20-12-17(23-15(2)24)5-8-19(16)20/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,24)