[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 3-iodanylbenzoate

Systemtic Name: [2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 3-iodanylbenzoate Openeye Name: [2-[2-(4-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-[2-(4-methylanilino)-2-oxoethyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-[2-keto-2-(p-toluidino)ethyl]thiazol-4-yl]methyl ester Formula: C20H17IN2O3S MolecularWeight: 492.33005

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)COC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)COC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C20H17IN2O3S/c1-13-5-7-16(8-6-13)22-18(24)10-19-23-17(12-27-19)11-26-20(25)14-3-2-4-15(21)9-14/h2-9,12H,10-11H2,1H3,(H,22,24)