methyl 2-[[4-[(4-iodophenyl)carbonylamino]phenyl]methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-[(4-iodophenyl)carbonylamino]phenyl]methylsulfanyl]ethanoate Openeye Name: methyl 2-[[4-[(4-iodobenzoyl)amino]phenyl]methylsulfanyl]acetate CAS Name: 2-[[4-[[(4-iodophenyl)-oxomethyl]amino]phenyl]methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-iodobenzoyl)amino]phenyl]methylsulfanyl]acetate Traditional Name: 2-[[4-[(4-iodobenzoyl)amino]benzyl]thio]acetic acid methyl ester Formula: C17H16INO3S MolecularWeight: 441.28331

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

COC(=O)CSCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C17H16INO3S/c1-22-16(20)11-23-10-12-2-8-15(9-3-12)19-17(21)13-4-6-14(18)7-5-13/h2-9H,10-11H2,1H3,(H,19,21)