2H-chromen-2-yl 3-(4-methoxyphenyl)carbonylsulfanyl-2-methyl-propanoate

Systemtic Name: 2H-chromen-2-yl 3-(4-methoxyphenyl)carbonylsulfanyl-2-methyl-propanoate Openeye Name: 2H-chromen-2-yl 3-(4-methoxybenzoyl)sulfanyl-2-methyl-propanoate CAS Name: 3-[[(4-methoxyphenyl)-oxomethyl]thio]-2-methylpropanoic acid 2H-1-benzopyran-2-yl ester IUPAC Name: 2H-chromen-2-yl 3-(4-methoxybenzoyl)sulfanyl-2-methylpropanoate Traditional Name: 2-methyl-3-(p-anisoylthio)propionic acid 2H-chromen-2-yl ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=C(C=C1)OC)C(=O)OC2C=CC3=CC=CC=C3O2

Isomeric SMILES

CC(CSC(=O)C1=CC=C(C=C1)OC)C(=O)OC2C=CC3=CC=CC=C3O2

InChI

InChI=1S/C21H20O5S/c1-14(13-27-21(23)16-7-10-17(24-2)11-8-16)20(22)26-19-12-9-15-5-3-4-6-18(15)25-19/h3-12,14,19H,13H2,1-2H3