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

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-phenylsulfanylpropanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H19NO5S/c1-14(23)22-16-7-8-18-15(11-21(25)27-19(18)12-16)13-26-20(24)9-10-28-17-5-3-2-4-6-17/h2-8,11-12H,9-10,13H2,1H3,(H,22,23)