(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C19H15ClO5S MolecularWeight: 390.8374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)Cl

InChI

InChI=1S/C19H15ClO5S/c20-13-1-4-15(5-2-13)26-8-7-18(22)24-11-12-9-19(23)25-17-10-14(21)3-6-16(12)17/h1-6,9-10,21H,7-8,11H2