[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H18INO3S MolecularWeight: 491.34199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H18INO3S/c1-14-10-17(22)7-9-19(14)23-20(24)12-26-21(25)13-27-18-8-6-15-4-2-3-5-16(15)11-18/h2-11H,12-13H2,1H3,(H,23,24)