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

Systemtic Name: 2H-chromen-2-yl 3-(4-bromophenyl)carbonylsulfanyl-2-methyl-propanoate Openeye Name: 2H-chromen-2-yl 3-(4-bromobenzoyl)sulfanyl-2-methyl-propanoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]thio]-2-methylpropanoic acid 2H-1-benzopyran-2-yl ester IUPAC Name: 2H-chromen-2-yl 3-(4-bromobenzoyl)sulfanyl-2-methylpropanoate Traditional Name: 3-[(4-bromobenzoyl)thio]-2-methyl-propionic acid 2H-chromen-2-yl ester Formula: C20H17BrO4S MolecularWeight: 433.31558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrO4S/c1-13(12-26-20(23)15-6-9-16(21)10-7-15)19(22)25-18-11-8-14-4-2-3-5-17(14)24-18/h2-11,13,18H,12H2,1H3