2-(2-diethylaminoethylsulfanyl)ethyl 3-methyl-1-benzofuran-2-carboxylate; iodanylmethane

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)ethyl 3-methyl-1-benzofuran-2-carboxylate; iodanylmethane Openeye Name: 2-(2-diethylaminoethylsulfanyl)ethyl 3-methylbenzofuran-2-carboxylate; iodomethane CAS Name: iodomethane; 3-methyl-2-benzofurancarboxylic acid 2-(2-diethylaminoethylthio)ethyl ester IUPAC Name: 2-(2-diethylaminoethylsulfanyl)ethyl 3-methyl-1-benzofuran-2-carboxylate; iodomethane Traditional Name: iodomethane; 3-methylcoumarilic acid 2-(2-diethylaminoethylthio)ethyl ester Formula: C19H28INO3S MolecularWeight: 477.39999

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSCCOC(=O)C1=C(C2=CC=CC=C2O1)C.CI

Isomeric SMILES

CCN(CC)CCSCCOC(=O)C1=C(C2=CC=CC=C2O1)C.CI

InChI

InChI=1S/C18H25NO3S.CH3I/c1-4-19(5-2)10-12-23-13-11-21-18(20)17-14(3)15-8-6-7-9-16(15)22-17;1-2/h6-9H,4-5,10-13H2,1-3H3;1H3