[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C17H15BrINO3S MolecularWeight: 520.17937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC2=CC=C(C=C2)I

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C17H15BrINO3S/c1-11-8-12(18)2-7-15(11)24-10-17(22)23-9-16(21)20-14-5-3-13(19)4-6-14/h2-8H,9-10H2,1H3,(H,20,21)