[3-(4-methylphenyl)carbonylsulfanyl-2H-chromen-2-yl] 2-methylpropanoate

Systemtic Name: [3-(4-methylphenyl)carbonylsulfanyl-2H-chromen-2-yl] 2-methylpropanoate Openeye Name: [3-(4-methylbenzoyl)sulfanyl-2H-chromen-2-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [3-[[(4-methylphenyl)-oxomethyl]thio]-2H-1-benzopyran-2-yl] ester IUPAC Name: [3-(4-methylbenzoyl)sulfanyl-2H-chromen-2-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [3-(p-toluoylthio)-2H-chromen-2-yl] ester Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=CC3=CC=CC=C3OC2OC(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=CC3=CC=CC=C3OC2OC(=O)C(C)C

InChI

InChI=1S/C21H20O4S/c1-13(2)19(22)25-21-18(12-16-6-4-5-7-17(16)24-21)26-20(23)15-10-8-14(3)9-11-15/h4-13,21H,1-3H3