methyl 3-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(4-iodoanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(4-iodoanilino)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-iodoanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(4-iodoanilino)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C12H14INO3S MolecularWeight: 379.21393

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=CC=C(C=C1)I

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=CC=C(C=C1)I

InChI

InChI=1S/C12H14INO3S/c1-17-12(16)6-7-18-8-11(15)14-10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3,(H,14,15)