[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C20H17IN2O3S MolecularWeight: 492.33005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)NC3=CC=C(C=C3)I

InChI

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