2H-chromen-2-yl 2-methyl-3-(2-methylphenyl)carbonylsulfanyl-propanoate

Systemtic Name: 2H-chromen-2-yl 2-methyl-3-(2-methylphenyl)carbonylsulfanyl-propanoate Openeye Name: 2H-chromen-2-yl 2-methyl-3-(2-methylbenzoyl)sulfanyl-propanoate CAS Name: 2-methyl-3-[[(2-methylphenyl)-oxomethyl]thio]propanoic acid 2H-1-benzopyran-2-yl ester IUPAC Name: 2H-chromen-2-yl 2-methyl-3-(2-methylbenzoyl)sulfanylpropanoate Traditional Name: 2-methyl-3-(o-toluoylthio)propionic acid 2H-chromen-2-yl ester Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)SCC(C)C(=O)OC2C=CC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=CC=C1C(=O)SCC(C)C(=O)OC2C=CC3=CC=CC=C3O2

InChI

InChI=1S/C21H20O4S/c1-14-7-3-5-9-17(14)21(23)26-13-15(2)20(22)25-19-12-11-16-8-4-6-10-18(16)24-19/h3-12,15,19H,13H2,1-2H3